data_[Li2Ca1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2483]
_cell_length_b [5.4972]
_cell_length_c [5.5559]
_cell_angle_alpha [110.3516]
_cell_angle_beta [90.6455]
_cell_angle_gamma [114.1587]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2CaPdF6]
_chemical_formula_sum '[Li2 Ca1 Pd1 F6]'
_cell_volume [134.8949]
_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  0.0227  0.1213  0.1096  1.0
  Li  Li1  1  0.5955  0.1185  0.6301  1.0
  Ca  Ca2  1  0.8206  0.6441  0.4464  1.0
  Pd  Pd3  1  0.3176  0.6422  0.9334  1.0
  F  F4  1  0.0915  0.8204  0.1639  1.0
  F  F5  1  0.2648  0.8168  0.6831  1.0
  F  F6  1  0.3796  0.4754  0.1870  1.0
  F  F7  1  0.5266  0.4468  0.7031  1.0
  F  F8  1  0.7909  0.1983  0.3506  1.0
  F  F9  1  0.8518  0.0393  0.7775  1.0
]