data_[Ta6Nb1Pt2]
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 [P-1]
_cell_length_a [5.1716]
_cell_length_b [5.2471]
_cell_length_c [6.5756]
_cell_angle_alpha [76.4632]
_cell_angle_beta [71.0852]
_cell_angle_gamma [87.4764]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta6NbPt2]
_chemical_formula_sum '[Ta6 Nb1 Pt2]'
_cell_volume [164.0130]
_cell_formula_units_Z [1]
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  2  0.2571  0.3603  0.5061  1
  Ta  Ta1  2  0.2652  0.4939  0.9793  1
  Ta  Ta2  2  0.4071  0.9318  0.2203  1
  Nb  Nb3  1  0.0000  0.0000  0.0000  1
  Pt  Pt4  2  0.1400  0.8233  0.6372  1
]