data_[Li2Ni1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9389]
_cell_length_b [5.3016]
_cell_length_c [5.5407]
_cell_angle_alpha [111.2945]
_cell_angle_beta [115.7620]
_cell_angle_gamma [90.2500]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2NiPdF6]
_chemical_formula_sum '[Li2 Ni1 Pd1 F6]'
_cell_volume [119.4420]
_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
[
  Li  Li0  1  0.0604  0.0756  0.0919  1.0
  Li  Li1  1  0.5271  0.5878  0.1076  1.0
  Ni  Ni2  1  0.3210  0.9676  0.6371  1.0
  Pd  Pd3  1  0.8226  0.4618  0.6437  1.0
  F  F4  1  0.0513  0.2145  0.4628  1.0
  F  F5  1  0.2860  0.8094  0.2402  1.0
  F  F6  1  0.3492  0.2136  0.0174  1.0
  F  F7  1  0.5977  0.7233  0.8271  1.0
  F  F8  1  0.7359  0.2164  0.8146  1.0
  F  F9  1  0.9104  0.7149  0.4808  1.0
]