data_[Cs10Bi4I24]
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 [C2/m]
_cell_length_a [21.4519]
_cell_length_b [8.9362]
_cell_length_c [12.6350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs5(BiI6)2]
_chemical_formula_sum '[Cs10 Bi4 I24]'
_cell_volume [2296.1083]
_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  4  0.1910  0.5000  0.8434  1.0
  Cs  Cs1  4  0.2048  0.5000  0.3557  1.0
  Cs  Cs2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.2503  0.0000  1.0
  I  I4  8  0.1452  0.2763  0.5695  1.0
  I  I5  8  0.1511  0.2533  0.0740  1.0
  I  I6  4  0.0038  0.0000  0.1752  1.0
  I  I7  4  0.0042  0.5000  0.1790  1.0
]