data_LaP7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   11.72
_cell_length_c   10.34
_cell_angle_alpha   90.0
_cell_angle_beta   129.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP7
_chemical_formula_sum   'La4 P28'
_cell_volume   656.62
_cell_formula_units_Z   4
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  La28  1  0.07  0.09  0.7  1.0
  La  La29  1  0.06  0.95  0.24  1.0
  La  La30  1  0.36  0.63  0.26  1.0
  La  La31  1  0.38  0.77  0.72  1.0
  P  P0  1  0.37  0.57  0.99  1.0
  P  P1  1  0.37  0.43  0.99  1.0
  P  P2  1  0.06  0.14  0.96  1.0
  P  P3  1  0.07  0.29  0.97  1.0
  P  P4  1  0.5  0.46  0.25  1.0
  P  P5  1  0.24  0.32  0.73  1.0
  P  P6  1  0.94  0.26  0.71  1.0
  P  P7  1  0.19  0.4  0.23  1.0
  P  P8  1  0.67  0.35  0.87  1.0
  P  P9  1  0.46  0.21  0.06  1.0
  P  P10  1  0.76  0.37  0.09  1.0
  P  P11  1  0.98  0.51  0.89  1.0
  P  P12  1  0.67  0.95  0.57  1.0
  P  P13  1  0.46  0.81  0.37  1.0
  P  P14  1  0.77  0.76  0.39  1.0
  P  P15  1  0.97  0.91  0.59  1.0
  P  P16  1  0.74  0.16  0.55  1.0
  P  P17  1  0.39  0.02  0.39  1.0
  P  P18  1  0.69  0.56  0.41  1.0
  P  P19  1  0.05  0.7  0.57  1.0
  P  P20  1  0.34  1.0  0.9  1.0
  P  P21  1  0.79  0.14  0.03  1.0
  P  P22  1  0.09  0.72  0.06  1.0
  P  P23  1  0.65  0.58  0.92  1.0
  P  P24  1  0.72  0.63  0.2  1.0
  P  P25  1  0.41  0.49  0.74  1.0
  P  P26  1  0.72  0.08  0.76  1.0
  P  P27  1  0.02  0.23  0.22  1.0

data_LaP7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.04
_cell_length_b   7.97
_cell_length_c   11.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.14
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaP7
_chemical_formula_sum   'La4 P28'
_cell_volume   656.62
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.08  0.24  0.41  1.0
  La  La1  2  0.37  0.22  0.73  1.0
  P  P2  2  0.01  0.44  0.22  1.0
  P  P3  2  0.06  0.26  0.13  1.0
  P  P4  2  0.06  0.61  0.01  1.0
  P  P5  2  0.22  0.72  0.27  1.0
  P  P6  2  0.22  0.25  0.96  1.0
  P  P7  2  0.26  0.09  0.34  1.0
  P  P8  2  0.3  0.42  0.64  1.0
  P  P9  2  0.35  0.59  0.85  1.0
  P  P10  2  0.36  0.51  0.21  1.0
  P  P11  2  0.36  0.11  0.55  1.0
  P  P12  2  0.36  0.91  0.41  1.0
  P  P13  2  0.36  0.51  0.07  1.0
  P  P14  2  0.46  0.93  0.2  1.0
  P  P15  2  0.49  0.77  0.1  1.0

La La La La P P P P P P P P P P P P P P P P P P P P P P P P P P P P
La La La La P P P P P P P P P P P P P P P P P P P P P P P P P P P P 0 19 - - o 0 20 - o o 0 10 - o o 0 24 o - o 1 21 o + o 2 26 o o o 2 8 o o o 2 22 o o o 2 17 o o o 3 23 o o o 4 5 o o o 4 15 - o o 4 28 o o + 5 9 o o o 5 13 o o + 5 14 o o + 5 15 - o o 6 7 o o o 6 13 o o + 6 30 - o o 7 11 o o + 7 12 - o o 7 13 o o + 7 15 - o o 8 11 o o o 8 22 o o o 9 10 - o o 9 29 o o o 9 12 o o o 9 13 o o + 10 20 o o o 11 31 o o o 11 14 - o o 11 15 - o - 12 29 o o o 12 14 o o + 12 15 o o o 13 24 o - - 13 25 o o o 13 14 o o o 14 31 + o o 15 27 o o o 15 26 + o + 16 21 o + o 16 19 o o o 16 17 o o o 16 30 o + o 17 21 o + o 17 18 o o o 18 23 + o o 18 19 o o o 18 28 o o o 19 23 + o o 20 30 o o o 22 28 o o o 25 31 + o o 25 30 o o - 27 29 o o o 27 28 o o + 
LaP7 crystallizes in the triclinic P-1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one P(11), one P(13), one P(3), one P(4), one P(6), one P(7), one P(8), and one P(9) atom. The La(1)-P(11) bond length is 2.01 Å. The La(1)-P(13) bond length is 2.93 Å. The La(1)-P(3) bond length is 2.19 Å. The La(1)-P(4) bond length is 2.85 Å. The La(1)-P(6) bond length is 3.24 Å. The La(1)-P(7) bond length is 2.76 Å. The La(1)-P(8) bond length is 2.34 Å. The La(1)-P(9) bond length is 1.96 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one P(10) and one P(12) atom. The La(2)-P(10) bond length is 1.96 Å. The La(2)-P(12) bond length is 2.81 Å. There are fourteen inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to one P(13), one P(2), and one P(6) atom. The P(1)-P(13) bond length is 2.07 Å. The P(1)-P(2) bond length is 1.66 Å. The P(1)-P(6) bond length is 2.40 Å. In the second P site, P(2) is bonded in a 1-coordinate geometry to one P(1), one P(4), and two equivalent P(6) atoms. The P(2)-P(4) bond length is 2.58 Å. There is one shorter (2.41 Å) and one longer (2.68 Å) P(2)-P(6) bond length. In the third P site, P(3) is bonded in a 1-coordinate geometry to one La(1) and one P(4) atom. The P(3)-P(4) bond length is 2.12 Å. In the fourth P site, P(4) is bonded in a distorted trigonal bipyramidal geometry to one La(1), one P(14), one P(2), one P(3), and one P(5) atom. The P(4)-P(14) bond length is 2.34 Å. The P(4)-P(5) bond length is 2.41 Å. In the fifth P site, P(5) is bonded in a 1-coordinate geometry to one P(4), one P(5), and one P(6) atom. The P(5)-P(5) bond length is 1.92 Å. The P(5)-P(6) bond length is 2.72 Å. In the sixth P site, P(6) is bonded in a 7-coordinate geometry to one La(1), one P(1), one P(11), one P(12), one P(5), and two equivalent P(2) atoms. The P(6)-P(11) bond length is 2.80 Å. The P(6)-P(12) bond length is 2.67 Å. In the seventh P site, P(7) is bonded in a 6-coordinate geometry to one La(1), one P(10), one P(13), one P(9), and two equivalent P(8) atoms. The P(7)-P(10) bond length is 1.80 Å. The P(7)-P(13) bond length is 2.34 Å. The P(7)-P(9) bond length is 2.52 Å. There is one shorter (2.08 Å) and one longer (2.31 Å) P(7)-P(8) bond length. In the eighth P site, P(8) is bonded in a 1-coordinate geometry to one La(1) and two equivalent P(7) atoms. In the ninth P site, P(9) is bonded in a distorted single-bond geometry to one La(1), one P(13), and one P(7) atom. The P(9)-P(13) bond length is 2.49 Å. In the tenth P site, P(10) is bonded in a distorted single-bond geometry to one La(2) and one P(7) atom. In the eleventh P site, P(11) is bonded in a single-bond geometry to one La(1) and one P(6) atom. In the twelfth P site, P(12) is bonded in a 2-coordinate geometry to one La(2), one P(13), one P(14), and one P(6) atom. The P(12)-P(13) bond length is 2.65 Å. The P(12)-P(14) bond length is 1.82 Å. In the thirteenth P site, P(13) is bonded in a 5-coordinate geometry to one La(1), one P(1), one P(12), one P(7), and one P(9) atom. In the fourteenth P site, P(14) is bonded in a 1-coordinate geometry to one P(12) and one P(4) atom.