data_[V28Ga12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [2.6201]
_cell_length_b [17.9255]
_cell_length_c [14.2353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [V7Ga3Au]
_chemical_formula_sum '[V28 Ga12 Au4]'
_cell_volume [668.5887]
_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  8  0.0000  0.2564  0.0854  1
  V  V1  8  0.0000  0.3793  0.1586  1
  V  V2  8  0.0000  0.4979  0.0817  1
  V  V3  4  0.0000  0.3653  0.7500  1
  Ga  Ga4  8  0.0000  0.1222  0.0108  1
  Ga  Ga5  4  0.0000  0.2277  0.7500  1
  Au  Au6  4  0.0000  0.0022  0.2500  1
]