data_[Cs3K1Zn2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.1247]
_cell_length_b [8.1247]
_cell_length_c [10.2799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3K(ZnBr4)2]
_chemical_formula_sum '[Cs3 K1 Zn2 Br8]'
_cell_volume [587.6667]
_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  0.3333  0.6667  0.3673  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  K  K2  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  2  0.3333  0.6667  0.7936  1.0
  Br  Br4  6  0.1734  0.3467  0.6977  1.0
  Br  Br5  2  0.3333  0.6667  0.0242  1.0
]