data_As2PbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   12.16
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   112.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PbO4
_chemical_formula_sum   'As8 Pb4 O16'
_cell_volume   526.4
_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  0.46  0.02  0.76  1.0
  As  As1  1  0.64  0.1  0.19  1.0
  As  As2  1  0.4  0.14  0.14  1.0
  As  As3  1  0.22  0.06  0.71  1.0
  As  As4  1  0.51  0.72  0.87  1.0
  As  As5  1  0.58  0.8  0.08  1.0
  As  As6  1  0.34  0.44  0.03  1.0
  As  As7  1  0.27  0.36  0.82  1.0
  Pb  Pb8  1  0.22  0.16  0.38  1.0
  Pb  Pb9  1  0.88  0.24  0.57  1.0
  Pb  Pb10  1  0.64  0.0  0.52  1.0
  Pb  Pb11  1  0.98  0.92  0.33  1.0
  O  O12  1  0.64  0.09  0.52  1.0
  O  O13  1  0.46  0.17  0.43  1.0
  O  O14  1  0.22  0.07  0.38  1.0
  O  O15  1  0.4  0.99  0.47  1.0
  O  O16  1  0.37  0.26  0.8  1.0
  O  O17  1  0.73  0.34  0.15  1.0
  O  O18  1  0.49  0.9  0.1  1.0
  O  O19  1  0.13  0.82  0.75  1.0
  O  O20  1  0.73  0.41  0.83  1.0
  O  O21  1  0.37  0.49  0.12  1.0
  O  O22  1  0.13  0.75  0.07  1.0
  O  O23  1  0.49  0.67  0.78  1.0
  O  O24  1  0.33  0.35  0.7  1.0
  O  O25  1  0.28  0.43  0.15  1.0
  O  O26  1  0.52  0.81  0.2  1.0
  O  O27  1  0.57  0.73  0.75  1.0

data_As2PbO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.4
_cell_length_b   7.34
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.8
_symmetry_Int_Tables_number   2
_chemical_formula_structural   As2PbO4
_chemical_formula_sum   'As8 Pb4 O16'
_cell_volume   526.4
_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
  As  As0  2  0.26  0.79  0.98  1.0
  As  As1  2  0.31  0.03  0.94  1.0
  As  As2  2  0.37  0.84  0.28  1.0
  As  As3  2  0.42  0.08  0.64  1.0
  Pb  Pb4  2  0.07  0.21  0.92  1.0
  Pb  Pb5  2  0.12  0.45  0.16  1.0
  O  O6  2  0.02  0.97  0.91  1.0
  O  O7  2  0.07  0.21  0.01  1.0
  O  O8  2  0.25  0.9  0.27  1.0
  O  O9  2  0.3  0.14  0.65  1.0
  O  O10  2  0.3  0.7  0.74  1.0
  O  O11  2  0.33  0.06  0.59  1.0
  O  O12  2  0.35  0.94  0.18  1.0
  O  O13  2  0.38  0.3  0.33  1.0

As As As As As As As As Pb Pb Pb Pb O O O O O O O O O O O O O O O O