data_[Pd3F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [6.8178]
_cell_length_b [6.8178]
_cell_length_c [18.2010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [PdF4]
_chemical_formula_sum '[Pd3 F12]'
_cell_volume [732.6758]
_cell_formula_units_Z [3]
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  2  0.3333  0.6667  0.5030  1
  Pd  Pd1  1  0.0000  0.0000  0.4475  1
  F  F2  6  0.2021  0.4043  0.4383  1
  F  F3  3  0.0000  0.5000  0.5460  1
  F  F4  2  0.3333  0.6667  0.6142  1
  F  F5  1  0.0000  0.0000  0.5502  1
]