data_VAu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   3.18
_cell_angle_alpha   104.51
_cell_angle_beta   104.51
_cell_angle_gamma   129.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAu2Cl
_chemical_formula_sum   'V1 Au2 Cl1'
_cell_volume   78.43
_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  0.68  0.0  0.0  1.0
  Au  Au0  1  0.41  0.16  0.29  1.0
  Au  Au1  1  0.41  0.84  0.29  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_VAu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.34
_cell_length_c   6.28
_cell_angle_alpha   110.1
_cell_angle_beta   104.51
_cell_angle_gamma   90.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAu2Cl
_chemical_formula_sum   'V1 Au2 Cl1'
_cell_volume   78.43
_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  V0  1  0.0  0.0  0.68  1.0
  Au  Au1  1  0.13  0.84  0.25  1.0
  Au  Au2  1  0.45  0.16  0.57  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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