data_[Cs4K2Sb2Br12]
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
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2744]
_cell_length_b [8.5984]
_cell_length_c [14.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2KSbBr6]
_chemical_formula_sum '[Cs4 K2 Sb2 Br12]'
_cell_volume [845.7592]
_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  0.2311  0.0621  0.2490  1.0
  K  K1  2  0.5000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1400  0.2257  0.9574  1.0
  Br  Br4  4  0.2378  0.6862  0.9600  1.0
  Br  Br5  4  0.3107  0.0176  0.7312  1.0
]