data_VZnPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   7.21
_cell_angle_alpha   107.53
_cell_angle_beta   107.53
_cell_angle_gamma   97.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnPO5
_chemical_formula_sum   'V2 Zn2 P2 O10'
_cell_volume   190.58
_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  0.36  0.0  0.21  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.8  0.48  0.6  1.0
  Zn  Zn3  1  0.16  0.52  0.81  1.0
  P  P4  1  0.8  0.77  0.6  1.0
  P  P5  1  0.16  0.23  0.81  1.0
  O  O6  1  0.63  0.91  0.62  1.0
  O  O7  1  0.96  0.91  0.59  1.0
  O  O8  1  0.32  0.09  0.8  1.0
  O  O9  1  0.99  0.09  0.83  1.0
  O  O10  1  0.24  0.19  0.06  1.0
  O  O11  1  0.07  0.19  0.57  1.0
  O  O12  1  0.71  0.81  0.36  1.0
  O  O13  1  0.88  0.81  0.85  1.0
  O  O14  1  0.16  0.63  0.81  1.0
  O  O15  1  0.8  0.37  0.6  1.0

data_VZnPO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   7.21
_cell_angle_alpha   107.53
_cell_angle_beta   107.53
_cell_angle_gamma   97.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnPO5
_chemical_formula_sum   'V2 Zn2 P2 O10'
_cell_volume   190.58
_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  0.0  0.0  1.0
  V  V1  1  0.36  0.0  0.21  1.0
  Zn  Zn2  1  0.16  0.52  0.81  1.0
  Zn  Zn3  1  0.8  0.48  0.6  1.0
  P  P4  1  0.16  0.23  0.81  1.0
  P  P5  1  0.8  0.77  0.6  1.0
  O  O6  1  0.07  0.19  0.57  1.0
  O  O7  1  0.16  0.63  0.81  1.0
  O  O8  1  0.24  0.19  0.06  1.0
  O  O9  1  0.32  0.09  0.8  1.0
  O  O10  1  0.63  0.91  0.62  1.0
  O  O11  1  0.71  0.81  0.36  1.0
  O  O12  1  0.8  0.37  0.6  1.0
  O  O13  1  0.88  0.81  0.85  1.0
  O  O14  1  0.96  0.91  0.59  1.0
  O  O15  1  0.99  0.09  0.83  1.0

V V Zn Zn P P O O O O O O O O O O
V V Zn Zn P P O O O O O O O O O O 0 10 o o o 0 1 o o o 1 13 - - - 1 9 - o - 1 10 o o o 2 15 o o o 3 14 o o o 4 6 o o o 4 7 o o o 4 12 o o o 5 9 - o o 5 8 o o o 5 10 o o + 5 11 o o o 6 12 o o o 7 11 + + o 7 12 o o o 9 10 + o + 