data_[V4Ga4Au4]
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 [C2/m]
_cell_length_a [13.1968]
_cell_length_b [3.5728]
_cell_length_c [4.0030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [VGaAu]
_chemical_formula_sum '[V4 Ga4 Au4]'
_cell_volume [187.9860]
_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  2  0.0000  0.0000  0.0000  1.0
  V  V1  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga2  4  0.1498  0.0000  0.5593  1.0
  Au  Au3  4  0.1645  0.5000  0.0721  1.0
]