data_[Ti4V6Ga4]
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 [C2/m]
_cell_length_a [8.8429]
_cell_length_b [4.3564]
_cell_length_c [5.4376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti2V3Ga2]
_chemical_formula_sum '[Ti4 V6 Ga4]'
_cell_volume [209.4709]
_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  0.0944  0.0000  0.2771  1
  V  V1  4  0.1164  0.5000  0.5625  1
  V  V2  2  0.0000  0.5000  0.0000  1
  Ga  Ga3  4  0.2013  0.0000  0.8122  1
]