data_[Cs8Bi2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [10.4834]
_cell_length_b [10.4834]
_cell_length_c [10.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Cs4BiI6]
_chemical_formula_sum '[Cs8 Bi2 I12]'
_cell_volume [1170.0059]
_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
[
  Cs  Cs0  8  0.1623  0.6623  0.2500  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  I  I2  8  0.1101  0.3129  0.5000  1
  I  I3  4  0.0000  0.0000  0.2087  1
]