data_VClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.76
_cell_length_c   28.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VClO
_chemical_formula_sum   'V2 Cl2 O2'
_cell_volume   353.68
_cell_formula_units_Z   2
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  0.22  0.57  0.18  1.0
  V  V1  1  0.72  0.07  0.11  1.0
  Cl  Cl2  1  0.72  0.57  0.24  1.0
  Cl  Cl3  1  0.22  0.07  0.05  1.0
  O  O4  1  0.22  0.07  0.16  1.0
  O  O5  1  0.72  0.57  0.13  1.0

V V Cl Cl O O 0 5 - o o 0 5 o o o 0 2 - o o 0 2 o o o 0 4 o o o 0 4 o + o 1 3 o o o 1 3 + o o 1 4 o o o 1 4 + o o 1 5 o - o 1 5 o o o 
data_VClO
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   3.33
_cell_length_b   3.76
_cell_length_c   28.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   VClO
_chemical_formula_sum   'V2 Cl2 O2'
_cell_volume   353.68
_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'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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  0.0  0.5  0.03  1.0
  Cl  Cl1  2  0.0  0.0  0.91  1.0
  O  O2  2  0.0  0.0  0.01  1.0
