data_VZnAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   8.17
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   121.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VZnAs2O7
_chemical_formula_sum   'V4 Zn4 As8 O28'
_cell_volume   607.13
_cell_formula_units_Z   4
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  0.31  0.46  0.68  1.0
  V  V1  1  0.93  0.55  0.53  1.0
  V  V2  1  0.8  0.71  0.79  1.0
  V  V3  1  0.18  0.62  0.94  1.0
  Zn  Zn4  1  0.01  0.62  0.33  1.0
  Zn  Zn5  1  0.24  0.53  0.87  1.0
  Zn  Zn6  1  0.11  0.55  0.13  1.0
  Zn  Zn7  1  0.87  0.63  0.6  1.0
  As  As8  1  0.17  0.75  0.22  1.0
  As  As9  1  0.07  0.83  0.98  1.0
  As  As10  1  0.94  0.42  0.25  1.0
  As  As11  1  0.04  0.34  0.49  1.0
  As  As12  1  0.7  0.36  0.12  1.0
  As  As13  1  0.54  0.45  0.08  1.0
  As  As14  1  0.41  0.81  0.35  1.0
  As  As15  1  0.57  0.72  0.39  1.0
  O  O16  1  0.53  0.46  0.75  1.0
  O  O17  1  0.45  0.55  0.99  1.0
  O  O18  1  0.58  0.71  0.72  1.0
  O  O19  1  0.66  0.62  0.48  1.0
  O  O20  1  0.32  0.23  0.39  1.0
  O  O21  1  0.92  0.31  0.81  1.0
  O  O22  1  0.79  0.94  0.07  1.0
  O  O23  1  0.19  0.86  0.66  1.0
  O  O24  1  0.61  0.59  0.37  1.0
  O  O25  1  0.63  0.68  0.84  1.0
  O  O26  1  0.5  0.57  0.1  1.0
  O  O27  1  0.48  0.49  0.63  1.0
  O  O28  1  0.01  0.26  0.55  1.0
  O  O29  1  0.23  0.35  0.66  1.0
  O  O30  1  0.1  0.91  0.92  1.0
  O  O31  1  0.88  0.82  0.81  1.0
  O  O32  1  0.21  0.67  0.07  1.0
  O  O33  1  0.77  0.75  0.66  1.0
  O  O34  1  0.9  0.5  0.4  1.0
  O  O35  1  0.34  0.42  0.81  1.0
  O  O36  1  0.74  0.17  0.63  1.0
  O  O37  1  0.24  0.26  0.1  1.0
  O  O38  1  0.37  1.0  0.84  1.0
  O  O39  1  0.87  0.91  0.37  1.0
  O  O40  1  0.21  0.31  0.64  1.0
  O  O41  1  0.77  0.39  0.1  1.0
  O  O42  1  0.9  0.86  0.83  1.0
  O  O43  1  0.34  0.78  0.37  1.0

data_VZnAs2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.85
_cell_length_b   8.17
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VZnAs2O7
_chemical_formula_sum   'V4 Zn4 As8 O28'
_cell_volume   607.13
_cell_formula_units_Z   4
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  0.08  0.04  0.21  1.0
  V  V1  2  0.31  0.12  0.06  1.0
  Zn  Zn2  2  0.05  0.05  0.87  1.0
  Zn  Zn3  2  0.35  0.97  0.4  1.0
  As  As4  2  0.13  0.14  0.65  1.0
  As  As5  2  0.23  0.25  0.25  1.0
  As  As6  2  0.26  0.22  0.61  1.0
  As  As7  2  0.37  0.16  0.49  1.0
  O  O8  2  0.08  0.01  0.63  1.0
  O  O9  2  0.14  0.32  0.19  1.0
  O  O10  2  0.14  0.04  0.75  1.0
  O  O11  2  0.18  0.08  0.34  1.0
  O  O12  2  0.18  0.67  0.37  1.0
  O  O13  2  0.21  0.73  0.07  1.0
  O  O14  2  0.21  0.59  0.9  1.0
  O  O15  2  0.22  0.17  0.93  1.0
  O  O16  2  0.25  0.28  0.1  1.0
  O  O17  2  0.25  0.24  0.08  1.0
  O  O18  2  0.35  0.19  0.64  1.0
  O  O19  2  0.4  0.64  0.66  1.0
  O  O20  2  0.46  0.12  0.99  1.0
  O  O21  2  0.47  0.91  0.9  1.0

V V V V Zn Zn Zn Zn As As As As As As As As O O O O O O O O O O O O O O O O O O O O O O O O O O O O
V V V V Zn Zn Zn Zn As As As As As As As As O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0 29 o o o 0 20 o o o 0 35 o o o 1 34 o o o 1 7 o o o 1 39 o o o 2 31 o o o 2 22 o o + 2 33 o o o 3 5 o o o 3 32 o o + 3 37 o o + 4 10 - o o 4 34 - o o 4 22 - o o 4 39 - o o 5 35 o o o 5 17 o o o 5 37 o o + 6 32 o o o 6 8 o o o 6 20 o o o 6 37 o o o 7 19 o o o 7 33 o o o 7 39 o o o 8 43 o o o 8 14 o o o 8 22 - o o 9 30 o o o 9 22 - o + 10 41 o o o 10 12 o o o 10 20 + o o 11 28 o o o 11 20 o o o 12 41 o o o 12 13 o o o 12 22 o - o 13 17 o o - 13 26 o o o 13 37 o o o 14 43 o o o 14 15 o o o 14 20 o + o 15 24 o o o 15 19 o o o 15 39 o o o 16 27 o o o 17 26 o o + 17 37 o o + 18 25 o o o 19 24 o o o 19 39 o o o 20 37 o o o 20 40 o o o 20 29 o o o 20 28 o o o 20 43 o - o 20 36 o o o 20 27 o o o 21 36 o o o 21 37 + o + 22 25 o o - 22 38 o o - 22 41 o + o 22 30 + o - 22 42 o o - 22 31 o o - 22 39 o o o 23 38 o o o 23 39 - o o 24 39 o o o 26 37 o o o 28 39 - - o 29 40 o o o 29 35 o o o 30 37 o + + 31 42 o o o 31 33 o o o 32 37 o o o 34 39 o o o 