data_As2Pb3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   6.41
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   114.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2Pb3O8
_chemical_formula_sum   'As4 Pb6 O16'
_cell_volume   422.13
_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
  As  As0  1  0.95  0.09  0.84  1.0
  As  As1  1  0.69  0.3  0.22  1.0
  As  As2  1  0.93  0.11  0.48  1.0
  As  As3  1  0.66  0.32  0.87  1.0
  Pb  Pb20  1  0.0  0.0  0.0  1.0
  Pb  Pb21  1  0.02  0.2  0.35  1.0
  Pb  Pb22  1  0.87  0.62  0.88  1.0
  Pb  Pb23  1  0.72  0.82  0.48  1.0
  Pb  Pb24  1  0.75  0.79  0.83  1.0
  Pb  Pb25  1  0.89  0.59  0.23  1.0
  O  O4  1  0.21  0.02  0.73  1.0
  O  O5  1  0.43  0.22  0.33  1.0
  O  O6  1  0.18  0.19  0.38  1.0
  O  O7  1  0.41  0.39  0.97  1.0
  O  O8  1  0.29  0.01  0.9  1.0
  O  O9  1  0.3  0.21  0.45  1.0
  O  O10  1  0.31  0.2  0.26  1.0
  O  O11  1  0.8  0.92  0.52  1.0
  O  O12  1  0.33  0.4  0.8  1.0
  O  O13  1  0.84  0.12  0.53  1.0
  O  O14  1  0.82  0.49  0.18  1.0
  O  O15  1  0.57  0.9  0.23  1.0
  O  O16  1  0.77  0.29  0.17  1.0
  O  O17  1  0.02  0.7  0.12  1.0
  O  O18  1  0.05  0.5  0.48  1.0
  O  O19  1  0.59  0.71  0.58  1.0

data_As2Pb3O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.41
_cell_length_b   7.57
_cell_length_c   9.43
_cell_angle_alpha   112.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2Pb3O8
_chemical_formula_sum   'As4 Pb6 O16'
_cell_volume   422.13
_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
  As  As0  1  0.09  0.88  0.84  1.0
  As  As1  1  0.11  0.56  0.48  1.0
  As  As2  1  0.3  0.53  0.22  1.0
  As  As3  1  0.32  0.21  0.87  1.0
  Pb  Pb4  1  0.0  0.0  0.0  1.0
  Pb  Pb5  1  0.2  0.33  0.35  1.0
  Pb  Pb6  1  0.59  0.34  0.23  1.0
  Pb  Pb7  1  0.62  0.01  0.88  1.0
  Pb  Pb8  1  0.79  0.08  0.83  1.0
  Pb  Pb9  1  0.82  0.75  0.48  1.0
  O  O10  1  0.01  0.61  0.9  1.0
  O  O11  1  0.02  0.52  0.73  1.0
  O  O12  1  0.12  0.69  0.53  1.0
  O  O13  1  0.19  0.19  0.38  1.0
  O  O14  1  0.2  0.94  0.26  1.0
  O  O15  1  0.21  0.15  0.45  1.0
  O  O16  1  0.22  0.9  0.33  1.0
  O  O17  1  0.29  0.4  0.17  1.0
  O  O18  1  0.39  0.57  0.97  1.0
  O  O19  1  0.4  0.48  0.8  1.0
  O  O20  1  0.49  0.36  0.18  1.0
  O  O21  1  0.5  0.43  0.48  1.0
  O  O22  1  0.7  0.1  0.12  1.0
  O  O23  1  0.71  0.99  0.58  1.0
  O  O24  1  0.9  0.66  0.23  1.0
  O  O25  1  0.92  0.73  0.52  1.0

As As As As Pb Pb Pb Pb Pb Pb O O O O O O O O O O O O O O O O
As As As As Pb Pb Pb Pb Pb Pb O O O O O O O O O O O O O O O O 0 4 + o + 0 3 o o o 1 22 o o o 1 21 o - o 2 19 o o o 2 24 + o o 3 18 o o o 3 13 o o o 3 22 o o + 3 6 o o o 3 20 o o + 4 23 o - o 5 12 o o o 5 24 o o o 6 8 o o o 6 23 + o + 7 17 o o o 7 21 o o o 7 25 o o o 8 25 o o o 9 20 o o o 9 23 + o o 9 24 + o o 10 14 o o o 11 16 o o o 11 21 o - o 12 15 o o o 12 24 o o o 13 18 o o o 14 21 o - + 15 24 o o o 16 21 o - o 17 21 o o o 20 23 + o o 20 24 + o o 