data_AsPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   5.18
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPb2
_chemical_formula_sum   'As4 Pb8'
_cell_volume   335.79
_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  0.47  0.29  0.64  1.0
  As  As1  1  0.91  0.88  0.83  1.0
  As  As2  1  0.84  0.29  0.78  1.0
  As  As3  1  0.28  0.88  0.97  1.0
  Pb  Pb4  1  0.64  0.29  0.93  1.0
  Pb  Pb5  1  0.48  0.88  0.73  1.0
  Pb  Pb6  1  0.27  0.29  0.88  1.0
  Pb  Pb7  1  0.11  0.88  0.69  1.0
  Pb  Pb8  1  0.49  0.29  0.9  1.0
  Pb  Pb9  1  0.63  0.88  0.09  1.0
  Pb  Pb10  1  0.11  0.29  0.52  1.0
  Pb  Pb11  1  0.26  0.88  0.72  1.0

data_AsPb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.18
_cell_length_b   6.75
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   AsPb2
_chemical_formula_sum   'As4 Pb8'
_cell_volume   335.79
_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  0.29  0.41  0.17  1.0
  As  As1  2  0.29  0.03  0.03  1.0
  Pb  Pb2  2  0.29  0.23  0.88  1.0
  Pb  Pb3  2  0.29  0.39  0.91  1.0
  Pb  Pb4  2  0.29  0.61  0.93  1.0
  Pb  Pb5  2  0.29  0.76  0.28  1.0

As As As As Pb Pb Pb Pb Pb Pb Pb Pb