data_[Ti8V4Ga6]
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 [12.7290]
_cell_length_b [3.5558]
_cell_length_c [6.5473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4V2Ga3]
_chemical_formula_sum '[Ti8 V4 Ga6]'
_cell_volume [278.7224]
_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  0.0497  0.5000  0.3281  1.0
  Ti  Ti1  4  0.2185  0.0000  0.3219  1.0
  V  V2  4  0.1693  0.5000  0.9946  1.0
  Ga  Ga3  4  0.1209  0.0000  0.6687  1.0
  Ga  Ga4  2  0.0000  0.0000  0.0000  1.0
]