data_[K2Cr1Pb1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7485]
_cell_length_b [7.7799]
_cell_length_c [7.7950]
_cell_angle_alpha [119.0240]
_cell_angle_beta [90.5305]
_cell_angle_gamma [118.9719]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2CrPbBr6]
_chemical_formula_sum '[K2 Cr1 Pb1 Br6]'
_cell_volume [340.6480]
_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
[
  K  K0  2  0.2277  0.4977  0.7661  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.5000  0.0000  0.5000  1.0
  Br  Br3  2  0.1571  0.9786  0.6946  1.0
  Br  Br4  2  0.1995  0.4708  0.1884  1.0
  Br  Br5  2  0.3277  0.0660  0.1991  1.0
]