data_[V20Ga8Si4]
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 [I4/mcm]
_cell_length_a [6.3446]
_cell_length_b [6.3446]
_cell_length_c [11.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [V5Ga2Si]
_chemical_formula_sum '[V20 Ga8 Si4]'
_cell_volume [442.9416]
_cell_formula_units_Z [4]
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  16  0.1642  0.3358  0.6598  1.0
  V  V1  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.1360  0.3640  0.0000  1.0
  Si  Si3  4  0.0000  0.0000  0.2500  1.0
]