data_[Ti3Al3Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9090]
_cell_length_b [4.0143]
_cell_length_c [8.0711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Ti3Al3Ga2]
_chemical_formula_sum '[Ti3 Al3 Ga2]'
_cell_volume [126.6503]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.2649  1.0
  Ti  Ti1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  1  0.0000  0.5000  0.5000  1.0
  Al  Al3  1  0.5000  0.0000  0.0000  1.0
  Al  Al4  1  0.5000  0.0000  0.5000  1.0
  Ga  Ga5  2  0.0000  0.0000  0.2393  1.0
]