data_[V4Bi4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1134]
_cell_length_b [3.2095]
_cell_length_c [7.1913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VBiS]
_chemical_formula_sum '[V4 Bi4 S4]'
_cell_volume [265.8128]
_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
[
  V  V0  2  0.0178  0.5000  0.2640  1
  V  V1  2  0.2628  0.5000  0.3152  1
  Bi  Bi2  2  0.1663  0.0000  0.6021  1
  Bi  Bi3  2  0.4288  0.0000  0.6230  1
  S  S4  2  0.1284  0.0000  0.1300  1
  S  S5  2  0.3772  0.5000  0.1103  1
]