data_[Li4Fe2Pd12]
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 [C2/m]
_cell_length_a [7.4407]
_cell_length_b [4.5357]
_cell_length_c [7.9512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2FePd6]
_chemical_formula_sum '[Li4 Fe2 Pd12]'
_cell_volume [267.4822]
_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  4  0.1637  0.5000  0.9366  1.0
  Fe  Fe1  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd2  4  0.0062  0.0000  0.1701  1.0
  Pd  Pd3  4  0.1637  0.5000  0.6068  1.0
  Pd  Pd4  4  0.1722  0.5000  0.2641  1.0
]