data_[Li2Pd2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1424]
_cell_length_b [5.6491]
_cell_length_c [6.4582]
_cell_angle_alpha [115.7223]
_cell_angle_beta [105.2445]
_cell_angle_gamma [96.3651]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiPdF4]
_chemical_formula_sum '[Li2 Pd2 F8]'
_cell_volume [157.5138]
_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
[
  Li  Li0  2  0.1907  0.3491  0.4453  1.0
  Pd  Pd1  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  1  0.5000  0.0000  0.0000  1.0
  F  F3  2  0.0246  0.5892  0.3363  1.0
  F  F4  2  0.1193  0.9798  0.8183  1.0
  F  F5  2  0.3738  0.7692  0.1393  1.0
  F  F6  2  0.4783  0.3183  0.2825  1.0
]