data_[Ta6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.0397]
_cell_length_b [2.8105]
_cell_length_c [5.0230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [TaPt]
_chemical_formula_sum '[Ta6 Pt6]'
_cell_volume [198.2054]
_cell_formula_units_Z [6]
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  4  0.0817  0.0000  0.6583  1.0
  Ta  Ta1  2  0.2500  0.0000  0.9979  1.0
  Pt  Pt2  4  0.0839  0.5000  0.1598  1.0
  Pt  Pt3  2  0.2500  0.5000  0.5018  1.0
]