data_[In2Bi2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [6.7769]
_cell_length_b [3.6813]
_cell_length_c [8.3797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [InBiS2]
_chemical_formula_sum '[In2 Bi2 S4]'
_cell_volume [207.3572]
_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
[
  In  In0  1  0.0000  0.0028  0.0000  1.0
  In  In1  1  0.5000  0.4903  0.0000  1.0
  Bi  Bi2  2  0.2425  0.2929  0.4991  1.0
  S  S3  2  0.1975  0.4911  0.1788  1.0
  S  S4  2  0.3000  0.0029  0.8246  1.0
]