data_[Ti20In8Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2426]
_cell_length_b [15.8442]
_cell_length_c [7.8415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Ti5(InGa)2]
_chemical_formula_sum '[Ti20 In8 Ga8]'
_cell_volume [651.3577]
_cell_formula_units_Z [4]
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  0.1659  0.3931  1
  Ti  Ti1  8  0.2500  0.0979  0.7500  1
  Ti  Ti2  4  0.0000  0.2500  0.0252  1
  In  In3  8  0.0000  0.0751  0.0934  1
  Ga  Ga4  4  0.0000  0.0000  0.5000  1
  Ga  Ga5  4  0.0000  0.2500  0.6780  1
]