data_[Ni3Pd36Pt21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6367]
_cell_length_b [11.6367]
_cell_length_c [8.1636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NiPd12Pt7]
_chemical_formula_sum '[Ni3 Pd36 Pt21]'
_cell_volume [957.3498]
_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
[
  Ni  Ni0  3  0.0000  0.0000  0.0000  1
  Pd  Pd1  18  0.0533  0.2434  0.5816  1
  Pd  Pd2  18  0.0543  0.2173  0.2518  1
  Pt  Pt3  18  0.0616  0.2375  0.9187  1
  Pt  Pt4  3  0.0000  0.0000  0.5000  1
]