data_[Li2Fe2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8975]
_cell_length_b [4.3865]
_cell_length_c [6.9302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiFePd3]
_chemical_formula_sum '[Li2 Fe2 Pd6]'
_cell_volume [141.6471]
_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  0.4604  0.2500  0.6123  1.0
  Fe  Fe1  2  0.0726  0.2500  0.8160  1.0
  Pd  Pd2  2  0.1589  0.7500  0.5795  1.0
  Pd  Pd3  2  0.2482  0.2500  0.2206  1.0
  Pd  Pd4  2  0.3372  0.7500  0.9996  1.0
]