data_V2(PCl3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   18.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2(PCl3)3
_chemical_formula_sum   'V4 P6 Cl18'
_cell_volume   771.05
_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  V24  1  0.51  0.03  0.11  1.0
  V  V25  1  0.0  0.06  0.12  1.0
  V  V26  1  0.0  0.06  0.92  1.0
  V  V27  1  0.51  0.03  0.91  1.0
  P  P18  1  0.0  0.0  0.52  1.0
  P  P19  1  0.0  0.0  0.51  1.0
  P  P20  1  0.51  0.03  0.32  1.0
  P  P21  1  0.0  0.06  0.3  1.0
  P  P22  1  0.0  0.06  0.71  1.0
  P  P23  1  0.51  0.03  0.73  1.0
  Cl  Cl0  1  0.41  0.14  0.52  1.0
  Cl  Cl1  1  0.59  0.14  0.52  1.0
  Cl  Cl2  1  0.0  0.89  0.52  1.0
  Cl  Cl3  1  0.1  0.95  0.51  1.0
  Cl  Cl4  1  0.93  0.95  0.51  1.0
  Cl  Cl5  1  0.51  0.19  0.51  1.0
  Cl  Cl6  1  0.64  0.0  0.8  1.0
  Cl  Cl7  1  0.36  0.0  0.8  1.0
  Cl  Cl8  1  0.0  0.17  0.8  1.0
  Cl  Cl9  1  0.88  0.08  0.78  1.0
  Cl  Cl10  1  0.15  0.08  0.78  1.0
  Cl  Cl11  1  0.51  0.92  0.78  1.0
  Cl  Cl12  1  0.15  0.08  0.24  1.0
  Cl  Cl13  1  0.88  0.08  0.24  1.0
  Cl  Cl14  1  0.51  0.92  0.24  1.0
  Cl  Cl15  1  0.36  0.0  0.25  1.0
  Cl  Cl16  1  0.64  0.0  0.25  1.0
  Cl  Cl17  1  0.0  0.17  0.25  1.0

data_V2(PCl3)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   18.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2(PCl3)3
_chemical_formula_sum   'V4 P6 Cl18'
_cell_volume   771.05
_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  -0.0  0.06  0.12  1.0
  V  V1  1  -0.0  0.06  0.92  1.0
  V  V2  1  0.51  0.03  0.11  1.0
  V  V3  1  0.51  0.03  0.91  1.0
  P  P4  1  -0.0  0.06  0.3  1.0
  P  P5  1  -0.0  0.06  0.71  1.0
  P  P6  1  0.0  0.0  0.51  1.0
  P  P7  1  0.0  0.0  0.52  1.0
  P  P8  1  0.51  0.03  0.32  1.0
  P  P9  1  0.51  0.03  0.73  1.0
  Cl  Cl10  1  -0.0  0.89  0.52  1.0
  Cl  Cl11  1  -0.0  0.17  0.25  1.0
  Cl  Cl12  1  -0.0  0.17  0.8  1.0
  Cl  Cl13  1  0.1  0.95  0.51  1.0
  Cl  Cl14  1  0.15  0.08  0.24  1.0
  Cl  Cl15  1  0.15  0.08  0.78  1.0
  Cl  Cl16  1  0.36  0.0  0.25  1.0
  Cl  Cl17  1  0.36  0.0  0.8  1.0
  Cl  Cl18  1  0.41  0.14  0.52  1.0
  Cl  Cl19  1  0.51  0.19  0.51  1.0
  Cl  Cl20  1  0.51  0.92  0.24  1.0
  Cl  Cl21  1  0.51  0.92  0.78  1.0
  Cl  Cl22  1  0.59  0.14  0.52  1.0
  Cl  Cl23  1  0.64  0.0  0.25  1.0
  Cl  Cl24  1  0.64  0.0  0.8  1.0
  Cl  Cl25  1  0.88  0.08  0.24  1.0
  Cl  Cl26  1  0.88  0.08  0.78  1.0
  Cl  Cl27  1  0.93  0.95  0.51  1.0

V V V V P P P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
V V V V P P P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 25 o o o 0 26 o o o 0 24 o - o 1 27 o o o 1 23 - o o 1 22 o o o 2 19 - o o 2 18 o o o 2 20 o o o 3 17 o o o 3 16 o o o 3 21 o - o 4 5 o o o 4 12 o - o 4 14 - - o 5 12 o - o 5 14 - - o 6 25 o o o 6 26 o o o 6 24 o - o 7 27 o o o 7 22 o o o 8 19 - o o 8 18 o o o 8 20 o o o 9 21 o - o 9 17 o o o 10 15 o o o 11 15 o o o 12 14 - o o 12 13 o o o 16 21 o - o 17 21 o - o 18 19 - o o 18 20 o o o 22 27 o o o 23 27 + o o 24 26 o + o 24 25 o + o 