data_[Ta18Nb36Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9994]
_cell_length_b [9.9994]
_cell_length_c [12.4071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ta6Nb12Pt]
_chemical_formula_sum '[Ta18 Nb36 Pt3]'
_cell_volume [1074.3595]
_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
[
  Ta  Ta0  18  0.0328  0.5931  0.7094  1
  Nb  Nb1  18  0.0534  0.8678  0.8028  1
  Nb  Nb2  18  0.0632  0.2265  0.4143  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]