data_[Pd1Pb2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  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 [4.0972]
_cell_length_b [5.9105]
_cell_length_c [6.5404]
_cell_angle_alpha [112.6915]
_cell_angle_beta [95.1149]
_cell_angle_gamma [90.9609]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PdPb2F6]
_chemical_formula_sum '[Pd1 Pb2 F6]'
_cell_volume [145.3176]
_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
[
  Pd  Pd0  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.2641  0.3377  0.6635  1.0
  F  F2  2  0.1925  0.3445  0.0916  1.0
  F  F3  2  0.2004  0.9664  0.2810  1.0
  F  F4  2  0.2556  0.6723  0.5462  1.0
]