data_[Ti6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.8022]
_cell_length_b [13.9815]
_cell_length_c [4.8184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [TiPt]
_chemical_formula_sum '[Ti6 Pt6]'
_cell_volume [188.7832]
_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
[
  Ti  Ti0  4  0.5000  0.1622  0.7127  1.0
  Ti  Ti1  2  0.5000  0.0000  0.3237  1.0
  Pt  Pt2  4  0.0000  0.1698  0.2088  1.0
  Pt  Pt3  2  0.0000  0.0000  0.8352  1.0
]