data_[K2Mo1Pb1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mo  2.1600  1.4500  0.7750
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3539]
_cell_length_b [6.1093]
_cell_length_c [7.9745]
_cell_angle_alpha [88.8914]
_cell_angle_beta [89.7127]
_cell_angle_gamma [83.4625]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2MoPbF8]
_chemical_formula_sum '[K2 Mo1 Pb1 F8]'
_cell_volume [210.6978]
_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  2  0.4936  0.4949  0.2460  1.0
  Mo  Mo1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  F  F3  2  0.0785  0.1953  0.2023  1.0
  F  F4  2  0.0910  0.2019  0.8094  1.0
  F  F5  2  0.3953  0.8064  0.9951  1.0
  F  F6  2  0.4997  0.7682  0.4931  1.0
]