data_[Ti10V2Ga16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.7057]
_cell_length_b [7.7057]
_cell_length_c [7.7714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Ti5VGa8]
_chemical_formula_sum '[Ti10 V2 Ga16]'
_cell_volume [461.4428]
_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  0.1100  0.1889  0.0986  1
  Ti  Ti1  2  0.0000  0.0000  0.5000  1
  V  V2  2  0.0000  0.5000  0.7500  1
  Ga  Ga3  8  0.0636  0.3415  0.4339  1
  Ga  Ga4  8  0.1148  0.1908  0.7600  1
]