data_[P2Pd2F2]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2545]
_cell_length_b [5.1043]
_cell_length_c [5.1116]
_cell_angle_alpha [62.1841]
_cell_angle_beta [80.3608]
_cell_angle_gamma [89.0767]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PPdF]
_chemical_formula_sum '[P2 Pd2 F2]'
_cell_volume [96.5473]
_cell_formula_units_Z [2]
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  0.0448  0.1030  0.8216  1
  P  P1  1  0.3847  0.4749  0.7290  1
  Pd  Pd2  1  0.3267  0.6565  0.0557  1
  Pd  Pd3  1  0.7285  0.3115  0.4539  1
  F  F4  1  0.2360  0.7620  0.4551  1
  F  F5  1  0.8106  0.0743  0.1395  1
]