data_[Fe4Re4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Re  1.9000  1.3500  0.7125
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4169]
_cell_length_b [5.4199]
_cell_length_c [9.5724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [FeRePd2]
_chemical_formula_sum '[Fe4 Re4 Pd8]'
_cell_volume [229.1516]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.3332  1
  Fe  Fe1  2  0.5000  0.0000  0.6700  1
  Re  Re2  4  0.5000  0.2292  0.4200  1
  Pd  Pd3  4  0.0000  0.2470  0.5795  1
  Pd  Pd4  2  0.0000  0.0000  0.8311  1
  Pd  Pd5  2  0.5000  0.0000  0.1666  1
]