data_La10US16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La10US16
_chemical_formula_sum   'La10 U1 S16'
_cell_volume   652.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.15  0.22  0.28  1.0
  La  La1  1  0.47  0.28  0.18  1.0
  La  La2  1  0.0  0.34  0.49  1.0
  La  La3  1  0.21  0.4  0.18  1.0
  La  La4  1  0.4  0.47  0.46  1.0
  La  La5  1  0.54  0.47  0.28  1.0
  La  La6  1  0.22  0.54  0.36  1.0
  La  La7  1  0.34  0.0  0.16  1.0
  La  La8  1  0.47  0.15  0.36  1.0
  La  La9  1  0.28  0.21  0.46  1.0
  U  U10  1  0.0  0.0  0.0  1.0
  S  S11  1  0.66  0.77  0.62  1.0
  S  S12  1  0.23  0.64  0.95  1.0
  S  S13  1  0.61  0.77  0.43  1.0
  S  S14  1  0.07  0.92  0.43  1.0
  S  S15  1  0.03  0.92  0.62  1.0
  S  S16  1  0.46  0.04  0.95  1.0
  S  S17  1  0.92  0.66  0.02  1.0
  S  S18  1  0.03  0.21  0.11  1.0
  S  S19  1  0.77  0.03  0.02  1.0
  S  S20  1  0.77  0.07  0.22  1.0
  S  S21  1  0.04  0.23  0.69  1.0
  S  S22  1  0.64  0.46  0.69  1.0
  S  S23  1  0.66  0.47  0.11  1.0
  S  S24  1  0.92  0.61  0.22  1.0
  S  S25  1  0.47  0.03  0.53  1.0
  S  S26  1  0.21  0.66  0.53  1.0

data_La10US16
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.65
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La10US16
_chemical_formula_sum   'La10 U1 S16'
_cell_volume   652.16
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.16  0.34  0.0  1.0
  La  La1  1  0.18  0.21  0.4  1.0
  La  La2  1  0.18  0.47  0.28  1.0
  La  La3  1  0.28  0.15  0.22  1.0
  La  La4  1  0.28  0.54  0.47  1.0
  La  La5  1  0.36  0.22  0.54  1.0
  La  La6  1  0.36  0.47  0.15  1.0
  La  La7  1  0.46  0.28  0.21  1.0
  La  La8  1  0.46  0.4  0.47  1.0
  La  La9  1  0.49  0.0  0.34  1.0
  U  U10  1  0.0  0.0  0.0  1.0
  S  S11  1  0.02  0.77  0.03  1.0
  S  S12  1  0.02  0.92  0.66  1.0
  S  S13  1  0.11  0.03  0.21  1.0
  S  S14  1  0.11  0.66  0.47  1.0
  S  S15  1  0.22  0.77  0.07  1.0
  S  S16  1  0.22  0.92  0.61  1.0
  S  S17  1  0.43  0.07  0.92  1.0
  S  S18  1  0.43  0.61  0.77  1.0
  S  S19  1  0.53  0.21  0.66  1.0
  S  S20  1  0.53  0.47  0.03  1.0
  S  S21  1  0.62  0.03  0.92  1.0
  S  S22  1  0.62  0.66  0.77  1.0
  S  S23  1  0.69  0.04  0.23  1.0
  S  S24  1  0.69  0.64  0.46  1.0
  S  S25  1  0.95  0.23  0.64  1.0
  S  S26  1  0.95  0.46  0.04  1.0

La La La La La La La La La La U S S S S S S S S S S S S S S S S
La La La La La La La La La La U S S S S S S S S S S S S S S S S 0 18 o o o 0 9 o o o 0 3 o o o 0 2 o o o 1 8 o o o 1 5 o o o 2 21 o o o 3 6 o o o 3 12 o o - 4 6 o o o 4 5 o o o 4 22 o o o 5 23 o o o 6 26 o o o 7 16 o o - 7 8 o o o 8 9 o o o 8 25 o o o 10 19 - o o 10 18 o o o 11 13 o o o 11 22 o o o 12 17 - o + 14 15 o o o 17 24 o o o 19 20 o o o 
ULa10S16 crystallizes in the triclinic P1 space group. U(1) is bonded in a distorted L-shaped geometry to one S(5), one S(7), one S(8), and one S(9) atom. The U(1)-S(5) bond length is 3.36 Å. The U(1)-S(7) bond length is 3.09 Å. The U(1)-S(8) bond length is 2.09 Å. The U(1)-S(9) bond length is 2.03 Å. There are ten inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one La(10), one La(4), one S(4), and one S(8) atom. The La(1)-La(10) bond length is 1.96 Å. The La(1)-La(4) bond length is 1.91 Å. The La(1)-S(4) bond length is 3.00 Å. The La(1)-S(8) bond length is 1.80 Å. In the second La site, La(2) is bonded in a 4-coordinate geometry to one La(4), one La(6), one La(9), one S(10), one S(13), and one S(6) atom. The La(2)-La(4) bond length is 2.52 Å. The La(2)-La(6) bond length is 1.91 Å. The La(2)-La(9) bond length is 1.96 Å. The La(2)-S(10) bond length is 3.16 Å. The La(2)-S(13) bond length is 2.38 Å. The La(2)-S(6) bond length is 2.85 Å. In the third La site, La(3) is bonded in a single-bond geometry to one S(11) and one S(14) atom. The La(3)-S(11) bond length is 2.08 Å. The La(3)-S(14) bond length is 3.39 Å. In the fourth La site, La(4) is bonded in a 6-coordinate geometry to one La(1), one La(2), one La(7), one S(14), one S(2), and one S(8) atom. The La(4)-La(7) bond length is 1.96 Å. The La(4)-S(14) bond length is 3.16 Å. The La(4)-S(2) bond length is 2.85 Å. The La(4)-S(8) bond length is 2.38 Å. In the fifth La site, La(5) is bonded in a 6-coordinate geometry to one La(10), one La(6), one La(7), one S(12), one S(16), and one S(3) atom. The La(5)-La(10) bond length is 2.52 Å. The La(5)-La(6) bond length is 1.96 Å. The La(5)-La(7) bond length is 1.91 Å. The La(5)-S(12) bond length is 2.85 Å. The La(5)-S(16) bond length is 2.38 Å. The La(5)-S(3) bond length is 3.16 Å. In the sixth La site, La(6) is bonded in a distorted single-bond geometry to one La(2), one La(5), one S(13), and one S(3) atom. The La(6)-S(13) bond length is 1.80 Å. The La(6)-S(3) bond length is 3.00 Å. In the seventh La site, La(7) is bonded in a distorted single-bond geometry to one La(4), one La(5), one S(14), and one S(16) atom. The La(7)-S(14) bond length is 3.00 Å. The La(7)-S(16) bond length is 1.80 Å. In the eighth La site, La(8) is bonded in a single-bond geometry to one S(4) and one S(6) atom. The La(8)-S(4) bond length is 3.39 Å. The La(8)-S(6) bond length is 2.08 Å. In the ninth La site, La(9) is bonded in a distorted single-bond geometry to one La(10), one La(2), one S(10), and one S(15) atom. The La(9)-La(10) bond length is 1.91 Å. The La(9)-S(10) bond length is 3.00 Å. The La(9)-S(15) bond length is 1.80 Å. In the tenth La site, La(10) is bonded in a 4-coordinate geometry to one La(1), one La(5), one La(9), one S(11), one S(15), and one S(4) atom. The La(10)-S(11) bond length is 2.85 Å. The La(10)-S(15) bond length is 2.38 Å. The La(10)-S(4) bond length is 3.16 Å. There are sixteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one S(3) atom. The S(1)-S(3) bond length is 1.70 Å. In the second S site, S(2) is bonded in a distorted single-bond geometry to one La(4) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to one La(5), one La(6), and one S(1) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one La(1), one La(10), one La(8), and one S(5) atom. The S(4)-S(5) bond length is 1.70 Å. In the fifth S site, S(5) is bonded in a 2-coordinate geometry to one U(1) and one S(4) atom. In the sixth S site, S(6) is bonded in a distorted single-bond geometry to one La(2) and one La(8) atom. In the seventh S site, S(7) is bonded in a distorted water-like geometry to one U(1) and one S(14) atom. The S(7)-S(14) bond length is 1.70 Å. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to one U(1), one La(1), and one La(4) atom. In the ninth S site, S(9) is bonded in a distorted single-bond geometry to one U(1) and one S(10) atom. The S(9)-S(10) bond length is 1.70 Å. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to one La(2), one La(9), and one S(9) atom. In the eleventh S site, S(11) is bonded in a distorted single-bond geometry to one La(10) and one La(3) atom. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to one La(5) atom. In the thirteenth S site, S(13) is bonded in a distorted single-bond geometry to one La(2) and one La(6) atom. In the fourteenth S site, S(14) is bonded in a 4-coordinate geometry to one La(3), one La(4), one La(7), and one S(7) atom. In the fifteenth S site, S(15) is bonded in a distorted single-bond geometry to one La(10) and one La(9) atom. In the sixteenth S site, S(16) is bonded in a distorted single-bond geometry to one La(5) and one La(7) atom.