data_[Fe2Ni6Pd2]
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 [P-1]
_cell_length_a [4.4518]
_cell_length_b [5.2287]
_cell_length_c [5.7009]
_cell_angle_alpha [76.7897]
_cell_angle_beta [75.7135]
_cell_angle_gamma [73.2151]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeNi3Pd]
_chemical_formula_sum '[Fe2 Ni6 Pd2]'
_cell_volume [121.3358]
_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  0.2839  0.2055  0.9136  1.0
  Ni  Ni1  2  0.0938  0.4061  0.2884  1.0
  Ni  Ni2  2  0.0966  0.9057  0.2888  1.0
  Ni  Ni3  2  0.3000  0.7021  0.9094  1.0
  Pd  Pd4  1  0.5000  0.0000  0.5000  1.0
  Pd  Pd5  1  0.5000  0.5000  0.5000  1.0
]