data_[P1Pd1Cl1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5664]
_cell_length_b [5.5892]
_cell_length_c [5.9188]
_cell_angle_alpha [77.6138]
_cell_angle_beta [69.5052]
_cell_angle_gamma [80.9555]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PPdClF6]
_chemical_formula_sum '[P1 Pd1 Cl1 F6]'
_cell_volume [137.6500]
_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
[
  P  P0  1  0.3904  0.4448  0.3285  1
  Pd  Pd1  1  0.3957  0.9368  0.8170  1
  Cl  Cl2  1  0.8625  0.9565  0.8810  1
  F  F3  1  0.0893  0.4577  0.5698  1
  F  F4  1  0.2158  0.2821  0.2297  1
  F  F5  1  0.2427  0.7096  0.1841  1
  F  F6  1  0.5442  0.1763  0.4704  1
  F  F7  1  0.5657  0.6046  0.4309  1
  F  F8  1  0.6935  0.4314  0.0889  1
]