data_[Fe2Ni6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3989]
_cell_length_b [3.8597]
_cell_length_c [8.5934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe(NiPd2)3]
_chemical_formula_sum '[Fe2 Ni6 Pd12]'
_cell_volume [278.4458]
_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
[
  Fe  Fe0  2  0.0539  0.2500  0.3963  1
  Ni  Ni1  2  0.2538  0.2500  0.9994  1
  Ni  Ni2  2  0.3497  0.7500  0.8051  1
  Ni  Ni3  2  0.4499  0.2500  0.6032  1
  Pd  Pd4  2  0.0565  0.7500  0.8997  1
  Pd  Pd5  2  0.1529  0.2500  0.6982  1
  Pd  Pd6  2  0.1530  0.7500  0.2043  1
  Pd  Pd7  2  0.2529  0.7500  0.5077  1
  Pd  Pd8  2  0.3617  0.2500  0.3078  1
  Pd  Pd9  2  0.4558  0.7500  0.1004  1
]