data_ZnNiAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   8.66
_cell_length_c   9.69
_cell_angle_alpha   90.0
_cell_angle_beta   113.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiAs2O7
_chemical_formula_sum   'Zn4 Ni4 As8 O28'
_cell_volume   560.56
_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
  Zn  Zn0  1  0.6  0.99  0.94  1.0
  Zn  Zn1  1  0.96  0.66  0.43  1.0
  Zn  Zn2  1  0.86  0.67  0.98  1.0
  Zn  Zn3  1  0.5  1.0  0.48  1.0
  Ni  Ni4  1  0.32  0.51  0.12  1.0
  Ni  Ni5  1  0.24  0.84  0.25  1.0
  Ni  Ni6  1  0.14  0.15  0.79  1.0
  Ni  Ni7  1  0.22  0.82  0.67  1.0
  As  As8  1  0.28  0.97  0.7  1.0
  As  As9  1  0.27  0.3  0.67  1.0
  As  As10  1  0.18  0.69  0.22  1.0
  As  As11  1  0.18  0.36  0.24  1.0
  As  As12  1  0.49  0.41  0.55  1.0
  As  As13  1  0.07  0.74  0.83  1.0
  As  As14  1  0.97  0.24  0.37  1.0
  As  As15  1  0.39  0.91  0.09  1.0
  O  O16  1  0.05  0.34  0.46  1.0
  O  O17  1  0.31  0.67  0.99  1.0
  O  O18  1  0.4  0.32  0.45  1.0
  O  O19  1  0.15  0.99  0.92  1.0
  O  O20  1  0.66  0.51  0.9  1.0
  O  O21  1  0.9  0.84  0.47  1.0
  O  O22  1  0.8  0.15  0.01  1.0
  O  O23  1  0.56  0.82  0.45  1.0
  O  O24  1  0.95  0.86  0.96  1.0
  O  O25  1  0.6  0.19  0.41  1.0
  O  O26  1  0.51  0.8  0.95  1.0
  O  O27  1  0.85  0.47  0.51  1.0
  O  O28  1  0.64  0.27  0.19  1.0
  O  O29  1  0.92  0.6  0.18  1.0
  O  O30  1  0.82  0.39  0.73  1.0
  O  O31  1  0.54  0.06  0.73  1.0
  O  O32  1  0.78  0.66  0.93  1.0
  O  O33  1  0.58  0.99  0.53  1.0
  O  O34  1  0.68  1.0  0.98  1.0
  O  O35  1  0.88  0.67  0.39  1.0
  O  O36  1  0.86  0.3  0.88  1.0
  O  O37  1  0.5  0.63  0.58  1.0
  O  O38  1  0.6  0.35  0.04  1.0
  O  O39  1  0.96  0.03  0.33  1.0
  O  O40  1  0.84  0.43  0.46  1.0
  O  O41  1  0.52  0.76  0.99  1.0
  O  O42  1  0.62  0.22  0.45  1.0
  O  O43  1  0.94  0.9  0.92  1.0

data_ZnNiAs2O7
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.26
_cell_length_b   8.66
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   111.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnNiAs2O7
_chemical_formula_sum   'Zn4 Ni4 As8 O28'
_cell_volume   560.56
_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
  Zn  Zn0  2  0.25  0.17  0.52  1.0
  Zn  Zn1  2  0.39  0.84  0.02  1.0
  Ni  Ni2  2  0.08  0.68  0.17  1.0
  Ni  Ni3  2  0.28  0.01  0.29  1.0
  As  As4  2  0.03  0.91  0.87  1.0
  As  As5  2  0.31  0.86  0.26  1.0
  As  As6  2  0.33  0.59  0.59  1.0
  As  As7  2  0.33  0.53  0.28  1.0
  O  O8  2  0.04  0.16  0.96  1.0
  O  O9  2  0.07  0.36  0.45  1.0
  O  O10  2  0.11  0.4  0.49  1.0
  O  O11  2  0.16  0.99  0.49  1.0
  O  O12  2  0.18  0.56  0.77  1.0
  O  O13  2  0.22  0.16  0.57  1.0
  O  O14  2  0.25  0.07  0.96  1.0
  O  O15  2  0.28  0.03  0.01  1.0
  O  O16  2  0.29  0.47  0.92  1.0
  O  O17  2  0.32  0.49  0.49  1.0
  O  O18  2  0.35  0.8  0.62  1.0
  O  O19  2  0.42  0.83  0.97  1.0
  O  O20  2  0.46  0.23  0.77  1.0
  O  O21  2  0.48  0.32  0.05  1.0

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