data_VBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBAu2
_chemical_formula_sum   'V1 B1 Au2'
_cell_volume   59.44
_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  0.47  0.47  0.56  1.0
  B  B2  1  0.0  0.0  0.21  1.0
  Au  Au0  1  0.0  0.0  0.56  1.0
  Au  Au1  1  0.47  0.47  0.83  1.0

data_VBAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VBAu2
_chemical_formula_sum   'V2 B2 Au4'
_cell_volume   118.88
_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  0.47  0.0  0.56  1.0
  B  B1  2  0.0  0.0  0.21  1.0
  Au  Au2  2  0.0  0.0  0.56  1.0
  Au  Au3  2  0.47  0.0  0.83  1.0

V B Au Au
V B Au Au 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 3 o o o 0 1 + + o 0 1 + o o 0 1 o + o 0 1 o o o 1 3 - o - 1 3 o - - 1 3 o o - 1 1 + o o 1 1 o + o 1 2 o o o 