data_[Ti12Ga10Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9539]
_cell_length_b [7.9468]
_cell_length_c [11.9945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti6Ga5Pt]
_chemical_formula_sum '[Ti12 Ga10 Pt2]'
_cell_volume [376.8743]
_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  0.2527  0.1673  1.0
  Ti  Ti1  4  0.0000  0.2457  0.5000  1.0
  Ga  Ga2  4  0.0000  0.0000  0.3327  1.0
  Ga  Ga3  4  0.0000  0.5000  0.3394  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt5  2  0.0000  0.0000  0.0000  1.0
]