data_[Cs2Zn1Bi1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.8648]
_cell_length_b [4.8648]
_cell_length_c [14.7445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs2ZnBiCl6]
_chemical_formula_sum '[Cs2 Zn1 Bi1 Cl6]'
_cell_volume [348.9537]
_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  2  0.5000  0.5000  0.2766  1
  Zn  Zn1  1  0.0000  0.0000  0.5000  1
  Bi  Bi2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.0000  0.5000  0.1257  1
  Cl  Cl4  1  0.5000  0.5000  0.0000  1
  Cl  Cl5  1  0.5000  0.5000  0.5000  1
]