data_[Pd2O1F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5842]
_cell_length_b [3.2738]
_cell_length_c [4.8476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3842]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Pd2OF3]
_chemical_formula_sum '[Pd2 O1 F3]'
_cell_volume [72.5377]
_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  0.5165  0.0000  0.5123  1
  Pd  Pd1  1  0.9791  0.5000  0.9811  1
  O  O2  1  0.7546  0.0000  0.8564  1
  F  F3  1  0.2465  0.0000  0.1557  1
  F  F4  1  0.2570  0.5000  0.6630  1
  F  F5  1  0.7462  0.5000  0.3316  1
]