data_[Ti4Nb4Ga10]
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 [9.9153]
_cell_length_b [4.9406]
_cell_length_c [7.5916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2Nb2Ga5]
_chemical_formula_sum '[Ti4 Nb4 Ga10]'
_cell_volume [303.3217]
_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  4  0.1069  0.0000  0.4462  1
  Nb  Nb1  4  0.1668  0.5000  0.6693  1
  Ga  Ga2  4  0.0695  0.5000  0.2414  1
  Ga  Ga3  4  0.2282  0.0000  0.8945  1
  Ga  Ga4  2  0.0000  0.0000  0.0000  1
]