data_U3Cu3Sn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27
_cell_length_b   8.27
_cell_length_c   8.27
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Cu3Sn4
_chemical_formula_sum   'U6 Cu6 Sn8'
_cell_volume   434.76
_cell_formula_units_Z   2
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
  U  U0  1  0.61  0.58  0.77  1.0
  U  U1  1  0.39  0.19  0.77  1.0
  U  U2  1  0.58  0.77  0.61  1.0
  U  U3  1  0.19  0.77  0.39  1.0
  U  U4  1  0.77  0.61  0.58  1.0
  U  U5  1  0.77  0.39  0.19  1.0
  Cu  Cu6  1  0.39  0.58  0.0  1.0
  Cu  Cu7  1  0.16  0.19  0.0  1.0
  Cu  Cu8  1  0.58  0.0  0.39  1.0
  Cu  Cu9  1  0.19  0.0  0.16  1.0
  Cu  Cu10  1  0.0  0.39  0.58  1.0
  Cu  Cu11  1  0.0  0.16  0.19  1.0
  Sn  Sn12  1  0.21  0.79  0.57  1.0
  Sn  Sn13  1  0.79  0.57  0.21  1.0
  Sn  Sn14  1  0.57  0.21  0.79  1.0
  Sn  Sn15  1  0.98  0.98  0.98  1.0
  Sn  Sn16  1  0.41  0.18  0.59  1.0
  Sn  Sn17  1  0.59  0.41  0.18  1.0
  Sn  Sn18  1  0.18  0.59  0.41  1.0
  Sn  Sn19  1  0.59  0.59  0.59  1.0

data_U3Cu3Sn4
_symmetry_space_group_name_H-M   R3
_cell_length_a   13.5
_cell_length_b   13.5
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   U3Cu3Sn4
_chemical_formula_sum   'U18 Cu18 Sn24'
_cell_volume   1304.28
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
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
  U  U0  9  0.08  0.73  0.12  1.0
  U  U1  9  0.12  0.08  0.66  1.0
  Cu  Cu2  9  0.01  0.41  0.99  1.0
  Cu  Cu3  9  0.04  0.12  0.12  1.0
  Sn  Sn4  9  0.01  0.8  0.39  1.0
  Sn  Sn5  9  0.02  0.62  0.19  1.0
  Sn  Sn6  3  0.0  0.0  0.59  1.0
  Sn  Sn7  3  0.0  0.0  0.98  1.0

U U U U U U Cu Cu Cu Cu Cu Cu Sn Sn Sn Sn Sn Sn Sn Sn
U3Cu3Sn4 crystallizes in the trigonal R3 space group. There are two inequivalent U sites. In the first U site, U(1) is bonded in a single-bond geometry to one Cu(1), one Sn(2), and one Sn(4) atom. The U(1)-Cu(1) bond length is 3.07 Å. The U(1)-Sn(2) bond length is 3.02 Å. The U(1)-Sn(4) bond length is 1.48 Å. In the second U site, U(2) is bonded in a 2-coordinate geometry to one Cu(1), one Sn(1), and one Sn(3) atom. The U(2)-Cu(1) bond length is 3.12 Å. The U(2)-Sn(1) bond length is 1.39 Å. The U(2)-Sn(3) bond length is 1.52 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one U(1), one U(2), one Cu(2), two equivalent Cu(1), one Sn(1), and one Sn(3) atom. The Cu(1)-Cu(2) bond length is 3.12 Å. Both Cu(1)-Cu(1) bond lengths are 3.21 Å. The Cu(1)-Sn(1) bond length is 3.29 Å. The Cu(1)-Sn(3) bond length is 2.91 Å. In the second Cu site, Cu(2) is bonded in a 1-coordinate geometry to one Cu(1) and one Sn(2) atom. The Cu(2)-Sn(2) bond length is 1.80 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted single-bond geometry to one U(2) and one Cu(1) atom. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent U(1) and three equivalent Cu(2) atoms. In the third Sn site, Sn(3) is bonded in a distorted single-bond geometry to one U(2) and one Cu(1) atom. In the fourth Sn site, Sn(4) is bonded in a trigonal non-coplanar geometry to three equivalent U(1) atoms.