data_V4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.96
_cell_length_b   10.96
_cell_length_c   10.96
_cell_angle_alpha   163.32
_cell_angle_beta   163.32
_cell_angle_gamma   23.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4Au3
_chemical_formula_sum   'V4 Au3'
_cell_volume   108.39
_cell_formula_units_Z   1
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  V3  1  0.0  0.0  0.87  1.0
  V  V4  1  0.0  0.0  0.1  1.0
  V  V5  1  0.0  0.0  0.35  1.0
  V  V6  1  0.0  0.0  0.57  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.27  1.0
  Au  Au2  1  0.0  0.0  0.18  1.0

data_V4Au3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   10.96
_cell_angle_alpha   90.0
_cell_angle_beta   101.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V4Au3
_chemical_formula_sum   'V8 Au6'
_cell_volume   216.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.13  1.0
  V  V1  2  0.0  0.0  0.43  1.0
  V  V2  2  0.0  0.0  0.65  1.0
  V  V3  2  0.0  0.0  0.9  1.0
  Au  Au4  2  0.0  0.0  0.0  1.0
  Au  Au5  2  0.0  0.0  0.73  1.0
  Au  Au6  2  0.0  0.0  0.82  1.0

V V V V Au Au Au
V V V V Au Au Au 0 4 o o + 0 3 o o o 1 6 o o o 1 4 o o o 2 5 o o o 2 3 o o o 3 3 + o + 3 3 o + + 3 5 o o o 