data_[U4Bi4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6856]
_cell_length_b [3.6576]
_cell_length_c [9.8420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UBiS3]
_chemical_formula_sum '[U4 Bi4 S12]'
_cell_volume [565.9611]
_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
[
  U  U0  4  0.1491  0.5000  0.3366  1
  Bi  Bi1  4  0.1505  0.0000  0.8326  1
  S  S2  4  0.0349  0.0000  0.2169  1
  S  S3  4  0.1773  0.0000  0.5565  1
  S  S4  4  0.1810  0.5000  0.0851  1
]