data_[Ti24Nb3Ga18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5761]
_cell_length_b [7.5761]
_cell_length_c [16.1588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti8NbGa6]
_chemical_formula_sum '[Ti24 Nb3 Ga18]'
_cell_volume [803.2187]
_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  0.0041  0.3136  0.1125  1
  Ti  Ti1  6  0.0000  0.0000  0.3316  1
  Nb  Nb2  3  0.0000  0.0000  0.0000  1
  Ga  Ga3  18  0.0002  0.3494  0.9395  1
]