data_[Ti12Nb10Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5921]
_cell_length_b [6.5454]
_cell_length_c [13.6184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6Nb5Pt]
_chemical_formula_sum '[Ti12 Nb10 Pt2]'
_cell_volume [409.3321]
_cell_formula_units_Z [2]
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  8  0.0000  0.2451  0.1634  1
  Ti  Ti1  4  0.0000  0.2610  0.5000  1
  Nb  Nb2  4  0.0000  0.0000  0.3387  1
  Nb  Nb3  4  0.0000  0.5000  0.3268  1
  Nb  Nb4  2  0.0000  0.5000  0.0000  1
  Pt  Pt5  2  0.0000  0.0000  0.0000  1
]