data_[Cs1In6Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [9.0191]
_cell_length_b [9.0191]
_cell_length_c [5.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Cs(In3Bi2)2]
_chemical_formula_sum '[Cs1 In6 Bi4]'
_cell_volume [380.4507]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.0000  1.0
  In  In1  3  0.2043  0.4087  0.5000  1.0
  In  In2  3  0.5387  0.0773  0.0000  1.0
  Bi  Bi3  3  0.4101  0.2051  0.5000  1.0
  Bi  Bi4  1  0.3333  0.6667  0.0000  1.0
]