data_[Li2Ni2Pd6]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7262]
_cell_length_b [5.3894]
_cell_length_c [6.1798]
_cell_angle_alpha [77.8183]
_cell_angle_beta [74.7009]
_cell_angle_gamma [73.4413]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiNiPd3]
_chemical_formula_sum '[Li2 Ni2 Pd6]'
_cell_volume [143.9550]
_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  1  0.4382  0.5070  0.2819  1.0
  Li  Li1  1  0.6400  0.8141  0.8717  1.0
  Ni  Ni2  1  0.0269  0.9268  0.0784  1.0
  Ni  Ni3  1  0.2276  0.2173  0.6894  1.0
  Pd  Pd4  1  0.0386  0.4214  0.0688  1.0
  Pd  Pd5  1  0.2396  0.7276  0.6902  1.0
  Pd  Pd6  1  0.4361  0.0044  0.2723  1.0
  Pd  Pd7  1  0.6461  0.3028  0.8706  1.0
  Pd  Pd8  1  0.8305  0.1167  0.4700  1.0
  Pd  Pd9  1  0.8592  0.6116  0.4676  1.0
]