data_[K3Ni2Pb1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9526]
_cell_length_b [5.9526]
_cell_length_c [7.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Ni2PbF9]
_chemical_formula_sum '[K3 Ni2 Pb1 F9]'
_cell_volume [241.4109]
_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  0.3333  0.6667  0.7209  1
  K  K1  1  0.0000  0.0000  0.0000  1
  Ni  Ni2  2  0.3333  0.6667  0.1496  1
  Pb  Pb3  1  0.0000  0.0000  0.5000  1
  F  F4  6  0.1749  0.3498  0.2962  1
  F  F5  3  0.0000  0.5000  0.0000  1
]