data_[K1H1Pb1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8715]
_cell_length_b [5.6412]
_cell_length_c [5.6675]
_cell_angle_alpha [87.7377]
_cell_angle_beta [67.6384]
_cell_angle_gamma [81.8349]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHPbF6]
_chemical_formula_sum '[K1 H1 Pb1 F6]'
_cell_volume [142.5598]
_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  0.1474  0.9771  0.8573  1.0
  H  H1  1  0.4487  0.4619  0.1479  1.0
  Pb  Pb2  1  0.7774  0.5088  0.4570  1.0
  F  F3  1  0.0090  0.1743  0.4450  1.0
  F  F4  1  0.2043  0.5873  0.1749  1.0
  F  F5  1  0.3737  0.3954  0.6872  1.0
  F  F6  1  0.5933  0.8223  0.3462  1.0
  F  F7  1  0.6586  0.3596  0.1347  1.0
  F  F8  1  0.7873  0.7134  0.7500  1.0
]