data_[K6Pb2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3378]
_cell_length_b [6.6299]
_cell_length_c [6.5882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3PbF6]
_chemical_formula_sum '[K6 Pb2 F12]'
_cell_volume [409.3498]
_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  0.2474  0.5000  0.7170  1.0
  K  K1  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0752  0.2380  0.3480  1.0
  F  F4  4  0.2228  0.0000  0.8541  1.0
]