data_VZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   6.57
_cell_length_c   7.42
_cell_angle_alpha   81.01
_cell_angle_beta   85.18
_cell_angle_gamma   72.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnP2O7
_chemical_formula_sum   'V2 Zn2 P4 O14'
_cell_volume   254.94
_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  0.96  0.19  0.38  1.0
  V  V1  1  0.25  0.07  0.95  1.0
  Zn  Zn2  1  0.54  0.73  0.77  1.0
  Zn  Zn3  1  0.67  0.53  0.55  1.0
  P  P4  1  0.55  0.37  0.67  1.0
  P  P5  1  0.67  0.89  0.66  1.0
  P  P6  1  0.03  0.84  0.48  1.0
  P  P7  1  0.18  0.42  0.85  1.0
  O  O8  1  0.54  0.2  0.6  1.0
  O  O9  1  0.68  0.07  0.73  1.0
  O  O10  1  0.58  0.47  0.72  1.0
  O  O11  1  0.63  0.79  0.6  1.0
  O  O12  1  0.03  0.04  0.27  1.0
  O  O13  1  0.18  0.22  0.06  1.0
  O  O14  1  0.98  0.5  0.14  1.0
  O  O15  1  0.24  0.76  0.19  1.0
  O  O16  1  0.03  0.81  0.31  1.0
  O  O17  1  0.19  0.46  0.02  1.0
  O  O18  1  0.39  0.49  0.78  1.0
  O  O19  1  0.82  0.77  0.54  1.0
  O  O20  1  0.75  0.59  0.42  1.0
  O  O21  1  0.47  0.68  0.91  1.0

data_VZnP2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.57
_cell_length_b   6.57
_cell_length_c   7.42
_cell_angle_alpha   81.01
_cell_angle_beta   85.18
_cell_angle_gamma   72.07
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VZnP2O7
_chemical_formula_sum   'V2 Zn2 P4 O14'
_cell_volume   254.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.14  0.94  0.79  1.0
  Zn  Zn1  2  0.44  0.6  0.61  1.0
  P  P2  2  0.08  0.29  0.69  1.0
  P  P3  2  0.44  0.24  0.5  1.0
  O  O4  2  0.08  0.09  0.9  1.0
  O  O5  2  0.08  0.32  0.86  1.0
  O  O6  2  0.13  0.63  0.02  1.0
  O  O7  2  0.28  0.36  0.62  1.0
  O  O8  2  0.36  0.54  0.75  1.0
  O  O9  2  0.43  0.07  0.43  1.0
  O  O10  2  0.47  0.34  0.56  1.0

V V Zn Zn P P P P O O O O O O O O O O O O O O
V V Zn Zn P P P P O O O O O O O O O O O O O O 0 12 + o o 1 13 o o + 2 21 o o o 3 20 o o o 4 10 o o o 4 8 o o o 4 18 o o o 5 11 o o o 5 9 o + o 5 19 o o o 6 16 o o o 6 19 - o o 7 18 o o o 7 17 o o + 8 9 o o o 10 18 o o o 11 19 o o o 12 16 o - o 13 17 o o o 14 17 + o o 15 16 o o o 