data_[Ti24Al4Ga12]
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 [Cmc2_1]
_cell_length_a [8.0177]
_cell_length_b [15.6994]
_cell_length_c [5.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ti6AlGa3]
_chemical_formula_sum '[Ti24 Al4 Ga12]'
_cell_volume [673.3519]
_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  0.1770  0.2539  0.6392  1
  Ti  Ti1  8  0.1949  0.4427  0.9190  1
  Ti  Ti2  4  0.0000  0.0145  0.6291  1
  Ti  Ti3  4  0.0000  0.3080  0.1103  1
  Al  Al4  4  0.0000  0.1503  0.3140  1
  Ga  Ga5  8  0.1963  0.1100  0.9055  1
  Ga  Ga6  4  0.0000  0.4052  0.5339  1
]