data_[Ti14Nb4Ga4]
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 [C2/m]
_cell_length_a [7.1046]
_cell_length_b [7.5897]
_cell_length_c [7.4383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7(NbGa)2]
_chemical_formula_sum '[Ti14 Nb4 Ga4]'
_cell_volume [383.0721]
_cell_formula_units_Z [2]
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  0.2321  0.3147  0.1942  1.0
  Ti  Ti1  4  0.1447  0.0000  0.4111  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  4  0.0997  0.5000  0.8380  1.0
  Ga  Ga4  4  0.0000  0.3140  0.5000  1.0
]