data_[Ti18Ga36Pt3]
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 [R-3]
_cell_length_a [10.1476]
_cell_length_b [10.1476]
_cell_length_c [10.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti6Ga12Pt]
_chemical_formula_sum '[Ti18 Ga36 Pt3]'
_cell_volume [940.8605]
_cell_formula_units_Z [3]
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  18  0.0085  0.4291  0.7343  1
  Ga  Ga1  18  0.0557  0.2017  0.8321  1
  Ga  Ga2  18  0.0578  0.8685  0.3833  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]