data_[Li2Fe6Pd12]
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 [7.2121]
_cell_length_b [4.4161]
_cell_length_c [9.5881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(FePd2)3]
_chemical_formula_sum '[Li2 Fe6 Pd12]'
_cell_volume [284.2220]
_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  0.0367  0.2500  0.4180  1
  Fe  Fe1  2  0.2328  0.2500  0.0305  1
  Fe  Fe2  2  0.3914  0.7500  0.7825  1
  Fe  Fe3  2  0.4643  0.2500  0.6314  1
  Pd  Pd4  2  0.0815  0.7500  0.8692  1
  Pd  Pd5  2  0.1541  0.2500  0.7091  1
  Pd  Pd6  2  0.1556  0.7500  0.1755  1
  Pd  Pd7  2  0.2554  0.7500  0.4926  1
  Pd  Pd8  2  0.3351  0.2500  0.3357  1
  Pd  Pd9  2  0.4683  0.7500  0.0748  1
]