data_[Nb18Ni36Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.4053]
_cell_length_b [11.4053]
_cell_length_c [7.5208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nb6Ni12Pt]
_chemical_formula_sum '[Nb18 Ni36 Pt3]'
_cell_volume [847.2538]
_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
[
  Nb  Nb0  18  0.0427  0.5213  0.2107  1
  Ni  Ni1  18  0.0000  0.3921  0.5000  1
  Ni  Ni2  18  0.0719  0.1439  0.2818  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]