data_AsH6NO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43
_cell_length_b   7.6
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsH6NO4
_chemical_formula_sum   'As4 H24 N4 O16'
_cell_volume   451.67
_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
  As  As0  1  0.28  0.49  0.02  1.0
  As  As1  1  0.43  0.11  0.02  1.0
  As  As2  1  0.99  0.31  0.98  1.0
  As  As3  1  0.15  0.29  0.98  1.0
  H  H4  1  0.55  0.04  0.7  1.0
  H  H5  1  0.24  0.52  0.92  1.0
  H  H6  1  0.04  0.3  0.34  1.0
  H  H7  1  0.62  0.35  0.44  1.0
  H  H8  1  0.64  0.18  0.07  1.0
  H  H9  1  0.33  0.09  0.95  1.0
  H  H10  1  0.39  0.51  0.95  1.0
  H  H11  1  0.08  0.42  0.07  1.0
  H  H12  1  0.09  0.25  0.44  1.0
  H  H13  1  0.67  0.3  0.34  1.0
  H  H14  1  0.47  0.08  0.92  1.0
  H  H15  1  0.17  0.56  0.7  1.0
  H  H16  1  0.26  0.76  0.3  1.0
  H  H17  1  0.96  0.88  0.08  1.0
  H  H18  1  0.76  0.5  0.66  1.0
  H  H19  1  0.34  0.05  0.56  1.0
  H  H20  1  0.35  0.22  0.93  1.0
  H  H21  1  0.04  0.31  0.05  1.0
  H  H22  1  0.1  0.29  0.05  1.0
  H  H23  1  0.79  0.38  0.93  1.0
  H  H24  1  0.81  0.55  0.57  1.0
  H  H25  1  0.38  0.1  0.66  1.0
  H  H26  1  0.18  0.72  0.08  1.0
  H  H27  1  0.88  0.84  0.3  1.0
  N  N28  1  0.29  0.53  0.73  1.0
  N  N29  1  0.42  0.07  0.73  1.0
  N  N30  1  0.0  0.87  0.27  1.0
  N  N31  1  0.14  0.73  0.27  1.0
  O  O32  1  0.52  0.61  0.56  1.0
  O  O33  1  0.9  0.01  0.12  1.0
  O  O34  1  0.04  0.96  0.62  1.0
  O  O35  1  0.63  0.6  0.6  1.0
  O  O36  1  0.08  0.0  0.6  1.0
  O  O37  1  0.67  0.64  0.62  1.0
  O  O38  1  0.82  0.59  0.12  1.0
  O  O39  1  0.2  0.99  0.56  1.0
  O  O40  1  0.23  0.79  0.44  1.0
  O  O41  1  0.61  0.79  0.88  1.0
  O  O42  1  0.76  0.44  0.38  1.0
  O  O43  1  0.34  0.2  0.4  1.0
  O  O44  1  0.8  0.4  0.4  1.0
  O  O45  1  0.38  0.16  0.38  1.0
  O  O46  1  0.53  0.81  0.88  1.0
  O  O47  1  0.91  0.81  0.44  1.0

data_AsH6NO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.43
_cell_length_b   7.6
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsH6NO4
_chemical_formula_sum   'As4 H24 N4 O16'
_cell_volume   451.67
_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
  As  As0  1  0.15  0.29  0.98  1.0
  As  As1  1  0.28  0.49  0.02  1.0
  As  As2  1  0.43  0.11  0.02  1.0
  As  As3  1  0.99  0.31  0.98  1.0
  H  H4  1  0.04  0.31  0.05  1.0
  H  H5  1  0.04  0.3  0.34  1.0
  H  H6  1  0.08  0.42  0.07  1.0
  H  H7  1  0.09  0.25  0.44  1.0
  H  H8  1  0.1  0.29  0.05  1.0
  H  H9  1  0.17  0.56  0.7  1.0
  H  H10  1  0.18  0.72  0.08  1.0
  H  H11  1  0.24  0.52  0.92  1.0
  H  H12  1  0.26  0.76  0.3  1.0
  H  H13  1  0.33  0.09  0.95  1.0
  H  H14  1  0.34  0.05  0.56  1.0
  H  H15  1  0.35  0.22  0.93  1.0
  H  H16  1  0.38  0.1  0.66  1.0
  H  H17  1  0.39  0.51  0.95  1.0
  H  H18  1  0.47  0.08  0.92  1.0
  H  H19  1  0.55  0.04  0.7  1.0
  H  H20  1  0.62  0.35  0.44  1.0
  H  H21  1  0.64  0.18  0.07  1.0
  H  H22  1  0.67  0.3  0.34  1.0
  H  H23  1  0.76  0.5  0.66  1.0
  H  H24  1  0.79  0.38  0.93  1.0
  H  H25  1  0.81  0.55  0.57  1.0
  H  H26  1  0.88  0.84  0.3  1.0
  H  H27  1  0.96  0.88  0.08  1.0
  N  N28  1  0.0  0.87  0.27  1.0
  N  N29  1  0.14  0.73  0.27  1.0
  N  N30  1  0.29  0.53  0.73  1.0
  N  N31  1  0.42  0.07  0.73  1.0
  O  O32  1  0.04  0.96  0.62  1.0
  O  O33  1  0.08  0.0  0.6  1.0
  O  O34  1  0.2  0.99  0.56  1.0
  O  O35  1  0.23  0.79  0.44  1.0
  O  O36  1  0.34  0.2  0.4  1.0
  O  O37  1  0.38  0.16  0.38  1.0
  O  O38  1  0.52  0.61  0.56  1.0
  O  O39  1  0.53  0.81  0.88  1.0
  O  O40  1  0.61  0.79  0.88  1.0
  O  O41  1  0.63  0.6  0.6  1.0
  O  O42  1  0.67  0.64  0.62  1.0
  O  O43  1  0.76  0.44  0.38  1.0
  O  O44  1  0.8  0.4  0.4  1.0
  O  O45  1  0.82  0.59  0.12  1.0
  O  O46  1  0.9  0.01  0.12  1.0
  O  O47  1  0.91  0.81  0.44  1.0

As As As As H H H H H H H H H H H H H H H H H H H H H H H H N N N N O O O O O O O O O O O O O O O O
As As As As H H H H H H H H H H H H H H H H H H H H H H H H N N N N O O O O O O O O O O O O O O O O 0 5 o o - 0 10 o o - 0 26 o o o 1 9 o o - 1 14 o o - 1 8 o o o 2 21 + o + 2 23 o o o 2 38 o o + 3 22 o o + 4 29 o o o 5 10 o o o 6 12 o o o 7 13 o o o 8 14 o o - 9 14 o o o 9 20 o o o 11 21 o o o 11 22 o o o 11 38 - o o 15 28 o o o 16 31 o o o 16 26 o o o 16 40 o o o 17 33 o + o 17 38 o o o 18 24 o o o 19 25 o o o 21 22 o o o 21 38 - o o 23 38 o o + 25 29 o o o 26 31 o o o 27 30 + o o 27 38 o o o 27 47 o o o 30 38 - o o 31 38 - o o 32 35 o o o 34 36 o + o 35 37 o o o 36 39 o - o 38 44 o o o 38 42 o o o 38 41 o o - 41 46 o o o 42 44 o o o 43 45 o o o 