data_[U8Pb2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9543]
_cell_length_b [8.0545]
_cell_length_c [9.7817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U4PbS8]
_chemical_formula_sum '[U8 Pb2 S16]'
_cell_volume [784.8660]
_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  4  0.0000  0.2473  0.0000  1
  U  U1  4  0.2345  0.0000  0.4983  1
  Pb  Pb2  2  0.0000  0.5000  0.5000  1
  S  S3  8  0.2303  0.2640  0.6681  1
  S  S4  4  0.0072  0.5000  0.8197  1
  S  S5  4  0.0256  0.0000  0.8407  1
]