data_[Fe6Ni2Pd12]
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 [C2/m]
_cell_length_a [8.7269]
_cell_length_b [5.2843]
_cell_length_c [7.4684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe3NiPd6]
_chemical_formula_sum '[Fe6 Ni2 Pd12]'
_cell_volume [295.4002]
_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  4  0.0288  0.0000  0.6820  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  8  0.2128  0.2575  0.3042  1
  Pd  Pd4  4  0.1454  0.5000  0.9259  1
]