data_[Ti10V4Ga8]
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 [Immm]
_cell_length_a [2.7884]
_cell_length_b [8.5850]
_cell_length_c [15.7469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ti5(VGa2)2]
_chemical_formula_sum '[Ti10 V4 Ga8]'
_cell_volume [376.9581]
_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  0.0000  0.2715  0.1709  1
  Ti  Ti1  2  0.0000  0.5000  0.5000  1
  V  V2  4  0.0000  0.0000  0.2411  1
  Ga  Ga3  4  0.0000  0.0000  0.4112  1
  Ga  Ga4  4  0.0000  0.2698  0.0000  1
]