data_[K1Sr2Pb1Br8]
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/m]
_cell_length_a [6.9654]
_cell_length_b [9.4543]
_cell_length_c [7.1712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSr2PbBr8]
_chemical_formula_sum '[K1 Sr2 Pb1 Br8]'
_cell_volume [472.2403]
_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  1  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2506  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2460  0.2226  0.1465  1.0
  Br  Br4  2  0.2475  0.0000  0.6553  1.0
  Br  Br5  2  0.2723  0.5000  0.6436  1.0
]