data_[Li2Mg1Pd1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9653]
_cell_length_b [5.3037]
_cell_length_c [5.5413]
_cell_angle_alpha [111.3748]
_cell_angle_beta [115.8325]
_cell_angle_gamma [90.0226]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2MgPdF6]
_chemical_formula_sum '[Li2 Mg1 Pd1 F6]'
_cell_volume [120.0845]
_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  0.0703  0.0881  0.0985  1.0
  Li  Li1  1  0.5264  0.5920  0.1113  1.0
  Mg  Mg2  1  0.3205  0.9633  0.6361  1.0
  Pd  Pd3  1  0.8213  0.4574  0.6433  1.0
  F  F4  1  0.0477  0.2091  0.4623  1.0
  F  F5  1  0.2911  0.8191  0.2446  1.0
  F  F6  1  0.3469  0.2172  0.0107  1.0
  F  F7  1  0.5881  0.7165  0.8202  1.0
  F  F8  1  0.7337  0.2094  0.8112  1.0
  F  F9  1  0.9157  0.7127  0.4849  1.0
]