data_[K1B1Pb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  B  2.0400  0.8500  0.4100
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6580]
_cell_length_b [4.9780]
_cell_length_c [7.0762]
_cell_angle_alpha [109.3027]
_cell_angle_beta [106.9087]
_cell_angle_gamma [90.3124]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KBPbF6]
_chemical_formula_sum '[K1 B1 Pb1 F6]'
_cell_volume [147.2214]
_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  0.3931  0.4211  0.3406  1.0
  B  B1  1  0.9462  0.1130  0.6633  1.0
  Pb  Pb2  1  0.7672  0.7736  0.0408  1.0
  F  F3  1  0.2161  0.1991  0.8287  1.0
  F  F4  1  0.3097  0.8370  0.1548  1.0
  F  F5  1  0.7446  0.3275  0.6922  1.0
  F  F6  1  0.8053  0.8544  0.6533  1.0
  F  F7  1  0.8194  0.4022  0.1602  1.0
  F  F8  1  0.9986  0.0722  0.4663  1.0
]