data_[V12Ga2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2843]
_cell_length_b [5.6942]
_cell_length_c [8.7890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V6GaSi]
_chemical_formula_sum '[V12 Ga2 Si2]'
_cell_volume [214.4138]
_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
[
  V  V0  4  0.0000  0.2477  0.6448  1.0
  V  V1  4  0.5000  0.2404  0.8562  1.0
  V  V2  2  0.0000  0.0000  0.3816  1.0
  V  V3  2  0.5000  0.0000  0.1171  1.0
  Ga  Ga4  2  0.5000  0.0000  0.5931  1.0
  Si  Si5  2  0.0000  0.0000  0.9064  1.0
]