data_[Fe4Ni7Pd1]
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 [4.4066]
_cell_length_b [5.0971]
_cell_length_c [6.7207]
_cell_angle_alpha [101.0544]
_cell_angle_beta [108.9662]
_cell_angle_gamma [90.0462]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe4Ni7Pd]
_chemical_formula_sum '[Fe4 Ni7 Pd1]'
_cell_volume [139.7836]
_cell_formula_units_Z [1]
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  0.1741  0.4235  0.6706  1
  Fe  Fe1  2  0.3335  0.8342  0.3371  1
  Ni  Ni2  2  0.1690  0.9153  0.6583  1
  Ni  Ni3  2  0.3327  0.3394  0.3399  1
  Ni  Ni4  2  0.4988  0.2570  0.9973  1
  Ni  Ni5  1  0.0000  0.5000  0.0000  1
  Pd  Pd6  1  0.0000  0.0000  0.0000  1
]