data_[In12Cu3Bi3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7497]
_cell_length_b [7.7497]
_cell_length_c [18.9199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In4CuBiS8]
_chemical_formula_sum '[In12 Cu3 Bi3 S24]'
_cell_volume [984.0544]
_cell_formula_units_Z [3]
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  9  0.1752  0.3505  0.8317  1.0
  In  In1  3  0.0000  0.0000  0.6245  1.0
  Cu  Cu2  3  0.0000  0.0000  0.3761  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0056  1.0
  S  S4  9  0.1686  0.3372  0.0884  1.0
  S  S5  9  0.1733  0.3465  0.5755  1.0
  S  S6  3  0.0000  0.0000  0.2481  1.0
  S  S7  3  0.0000  0.0000  0.7590  1.0
]