data_[In12Bi3Au3S24]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8512]
_cell_length_b [7.8512]
_cell_length_c [19.2721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [In4BiAuS8]
_chemical_formula_sum '[In12 Bi3 Au3 S24]'
_cell_volume [1028.7957]
_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  0.0132  0.5066  0.5008  1.0
  In  In1  3  0.0000  0.0000  0.3763  1.0
  Bi  Bi2  3  0.0000  0.0000  0.9934  1.0
  Au  Au3  3  0.0000  0.0000  0.6292  1.0
  S  S4  9  0.0128  0.5064  0.7577  1.0
  S  S5  9  0.1714  0.3427  0.5758  1.0
  S  S6  3  0.0000  0.0000  0.2415  1.0
  S  S7  3  0.0000  0.0000  0.7568  1.0
]