data_[Ta1Ti2Pt9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9693]
_cell_length_b [3.9693]
_cell_length_c [11.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TaTi2Pt9]
_chemical_formula_sum '[Ta1 Ti2 Pt9]'
_cell_volume [187.4195]
_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  1  0.0000  0.0000  0.0000  1
  Ti  Ti1  2  0.0000  0.0000  0.3380  1
  Pt  Pt2  4  0.0000  0.5000  0.1668  1
  Pt  Pt3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  2  0.5000  0.5000  0.3333  1
  Pt  Pt5  1  0.5000  0.5000  0.0000  1
]