data_V2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   2.89
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2AuCl
_chemical_formula_sum   'V2 Au1 Cl1'
_cell_volume   57.84
_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  V2  1  0.45  0.45  0.54  1.0
  V  V3  1  0.45  0.45  0.38  1.0
  Au  Au0  1  0.0  0.0  0.46  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_V2AuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2AuCl
_chemical_formula_sum   'V4 Au2 Cl2'
_cell_volume   115.68
_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  0.45  0.0  0.38  1.0
  V  V1  2  0.45  0.0  0.54  1.0
  Au  Au2  2  0.0  0.0  0.46  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

V V Au Cl
V V Au Cl 0 1 o o o 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 3 o o o 2 3 o o o 3 3 + o o 3 3 o + o 