data_[Cs4Bi1Sb1Cl12]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.7264]
_cell_length_b [7.7264]
_cell_length_c [10.8665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs4BiSbCl12]
_chemical_formula_sum '[Cs4 Bi1 Sb1 Cl12]'
_cell_volume [648.7000]
_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  4  0.0000  0.5000  0.2199  1.0
  Bi  Bi1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  1  0.5000  0.5000  0.5000  1.0
  Cl  Cl3  4  0.2498  0.2498  0.0000  1.0
  Cl  Cl4  4  0.2786  0.2786  0.5000  1.0
  Cl  Cl5  2  0.0000  0.0000  0.2519  1.0
  Cl  Cl6  2  0.5000  0.5000  0.2772  1.0
]