data_[Ti10Nb2Ga10]
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 [14.4605]
_cell_length_b [4.9520]
_cell_length_c [5.4261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti5NbGa5]
_chemical_formula_sum '[Ti10 Nb2 Ga10]'
_cell_volume [384.9436]
_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  0.1518  0.5000  0.4221  1
  Ti  Ti1  4  0.1689  0.5000  0.9331  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Nb  Nb3  2  0.0000  0.0000  0.0000  1
  Ga  Ga4  4  0.1693  0.0000  0.7339  1
  Ga  Ga5  4  0.1716  0.0000  0.2437  1
  Ga  Ga6  2  0.0000  0.5000  0.0000  1
]