data_[Fe18Co3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.1083]
_cell_length_b [9.1083]
_cell_length_c [11.6064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Fe6CoPd12]
_chemical_formula_sum '[Fe18 Co3 Pd36]'
_cell_volume [833.8702]
_cell_formula_units_Z [3]
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  18  0.0340  0.5958  0.7055  1.0
  Co  Co1  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  18  0.0275  0.8420  0.8190  1.0
  Pd  Pd3  18  0.0564  0.2123  0.4105  1.0
]