data_[Bi8Mo4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Mo  2.1600  1.4500  0.7750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2648]
_cell_length_b [3.3025]
_cell_length_c [6.7241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2113]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2MoS]
_chemical_formula_sum '[Bi8 Mo4 S4]'
_cell_volume [426.0385]
_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
[
  Bi  Bi0  4  0.0174  0.0000  0.7793  1.0
  Bi  Bi1  4  0.1729  0.0000  0.9217  1.0
  Mo  Mo2  4  0.2437  0.0000  0.3357  1.0
  S  S3  4  0.1603  0.5000  0.4160  1.0
]