data_[Zr12Fe2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3949]
_cell_length_b [8.1174]
_cell_length_c [10.5787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Zr6FePd3]
_chemical_formula_sum '[Zr12 Fe2 Pd6]'
_cell_volume [402.1715]
_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
[
  Zr  Zr0  4  0.0953  0.0620  0.2362  1
  Zr  Zr1  4  0.1366  0.6895  0.0562  1
  Zr  Zr2  4  0.4444  0.1672  0.0401  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
  Pd  Pd4  4  0.3905  0.0995  0.7404  1
  Pd  Pd5  2  0.5000  0.0000  0.5000  1
]