data_[K4Pb4Br12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6876]
_cell_length_b [19.6759]
_cell_length_c [8.8272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KPbBr3O]
_chemical_formula_sum '[K4 Pb4 Br12 O4]'
_cell_volume [814.1614]
_cell_formula_units_Z [4]
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  4  0.0000  0.4276  0.9807  1
  Pb  Pb1  4  0.0000  0.1768  0.9979  1
  Br  Br2  4  0.0000  0.0401  0.1629  1
  Br  Br3  4  0.0000  0.2756  0.7141  1
  Br  Br4  4  0.0000  0.3917  0.3446  1
  O  O5  4  0.0000  0.0607  0.3630  1
]