data_[In8Ga4Bi4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3213]
_cell_length_b [13.2872]
_cell_length_c [7.0128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2GaBiS6]
_chemical_formula_sum '[In8 Ga4 Bi4 S24]'
_cell_volume [1062.7601]
_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
[
  In  In0  8  0.1125  0.4120  0.6450  1.0
  Ga  Ga1  4  0.0000  0.1757  0.2500  1.0
  Bi  Bi2  4  0.0000  0.0928  0.7500  1.0
  S  S3  8  0.1218  0.4161  0.0112  1.0
  S  S4  8  0.1255  0.2314  0.5661  1.0
  S  S5  8  0.1291  0.0661  0.1781  1.0
]