data_[K4Sr2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9127]
_cell_length_b [8.4170]
_cell_length_c [13.8694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2SrPbBr6]
_chemical_formula_sum '[K4 Sr2 Pb2 Br12]'
_cell_volume [763.1968]
_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
[
  K  K0  4  0.2825  0.5816  0.7519  1.0
  Sr  Sr1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1198  0.5492  0.2510  1.0
  Br  Br4  4  0.2573  0.1955  0.0683  1.0
  Br  Br5  4  0.3780  0.6950  0.0667  1.0
]