data_[In4Bi8S18]
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 [P-3c1]
_cell_length_a [6.9782]
_cell_length_b [6.9782]
_cell_length_c [18.7298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [165]
_chemical_formula_structural [In2Bi4S9]
_chemical_formula_sum '[In4 Bi8 S18]'
_cell_volume [789.8552]
_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  4  0.0000  0.0000  0.1505  1
  Bi  Bi1  4  0.3333  0.6667  0.0183  1
  Bi  Bi2  4  0.3333  0.6667  0.8135  1
  S  S3  12  0.0343  0.3517  0.4142  1
  S  S4  6  0.0000  0.2824  0.7500  1
]