data_[Ti2Nb12Ga10]
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 [Immm]
_cell_length_a [4.3433]
_cell_length_b [8.5535]
_cell_length_c [10.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [TiNb6Ga5]
_chemical_formula_sum '[Ti2 Nb12 Ga10]'
_cell_volume [406.1246]
_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  2  0.0000  0.0000  0.0000  1
  Nb  Nb1  8  0.0000  0.2548  0.1649  1
  Nb  Nb2  4  0.0000  0.2371  0.5000  1
  Ga  Ga3  4  0.0000  0.0000  0.3219  1
  Ga  Ga4  4  0.0000  0.5000  0.3436  1
  Ga  Ga5  2  0.0000  0.5000  0.0000  1
]