data_[Fe2Cu6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8787]
_cell_length_b [2.7225]
_cell_length_c [10.9909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe(CuPd2)3]
_chemical_formula_sum '[Fe2 Cu6 Pd12]'
_cell_volume [288.7203]
_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  0.0428  0.2500  0.7119  1.0
  Cu  Cu1  2  0.0769  0.2500  0.0869  1.0
  Cu  Cu2  2  0.3712  0.7500  0.4960  1.0
  Cu  Cu3  2  0.4195  0.2500  0.8988  1.0
  Pd  Pd4  2  0.1188  0.2500  0.4768  1.0
  Pd  Pd5  2  0.1806  0.7500  0.9136  1.0
  Pd  Pd6  2  0.2101  0.7500  0.2790  1.0
  Pd  Pd7  2  0.2642  0.7500  0.6942  1.0
  Pd  Pd8  2  0.3477  0.2500  0.1119  1.0
  Pd  Pd9  2  0.4943  0.7500  0.3147  1.0
]