data_Pb3SeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb3SeO5
_chemical_formula_sum   'Pb6 Se2 O10'
_cell_volume   323.39
_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
  Pb  Pb10  1  0.3  0.04  0.78  1.0
  Pb  Pb11  1  0.97  0.24  0.79  1.0
  Pb  Pb12  1  0.97  0.76  0.66  1.0
  Pb  Pb13  1  0.62  0.24  0.79  1.0
  Pb  Pb14  1  0.62  0.76  0.66  1.0
  Pb  Pb15  1  0.3  0.96  0.65  1.0
  Se  Se16  1  0.3  0.35  0.98  1.0
  Se  Se17  1  0.3  0.65  0.1  1.0
  O  O0  1  0.17  0.03  0.27  1.0
  O  O1  1  0.17  0.97  0.15  1.0
  O  O2  1  0.3  1.0  0.47  1.0
  O  O3  1  0.67  0.73  0.11  1.0
  O  O4  1  0.67  0.27  0.23  1.0
  O  O5  1  0.93  0.73  0.11  1.0
  O  O6  1  0.93  0.27  0.23  1.0
  O  O7  1  0.3  0.0  0.6  1.0
  O  O8  1  0.42  0.03  0.27  1.0
  O  O9  1  0.42  0.97  0.15  1.0

data_Pb3SeO5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.75
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Pb3SeO5
_chemical_formula_sum   'Pb6 Se2 O10'
_cell_volume   323.4
_cell_formula_units_Z   2
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
  Pb  Pb0  2  0.66  0.32  0.76  1.0
  Pb  Pb1  2  0.79  0.32  0.24  1.0
  Pb  Pb2  1  0.65  0.0  0.96  1.0
  Pb  Pb3  1  0.78  0.0  0.04  1.0
  Se  Se4  1  0.1  0.0  0.65  1.0
  Se  Se5  1  0.98  0.0  0.35  1.0
  O  O6  2  0.11  0.37  0.73  1.0
  O  O7  2  0.15  0.13  0.97  1.0
  O  O8  2  0.23  0.37  0.27  1.0
  O  O9  2  0.27  0.13  0.03  1.0
  O  O10  1  0.47  0.0  1.0  1.0
  O  O11  1  0.6  0.0  0.0  1.0

Pb Pb Pb Pb Pb Pb Se Se O O O O O O O O O O
Pb Pb Pb Pb Pb Pb Se Se O O O O O O O O O O 0 15 o o o 0 5 o - o 0 1 - o o 0 2 - - o 0 3 o o o 0 4 o - o 0 6 o o o 1 14 o o o 1 14 o o + 1 3 o o o 1 15 + o o 1 5 + - o 1 9 + - + 1 6 + o o 2 13 o o o 2 13 o o + 2 4 o o o 2 15 + + o 2 8 + + o 2 10 + o o 2 5 + o o 3 15 o o o 3 5 o - o 3 17 o - + 3 6 o o o 3 12 o o o 3 12 o o + 4 16 o + o 4 15 o + o 4 10 o o o 4 5 o o o 4 11 o o o 4 11 o o + 5 15 o + o 6 8 o o + 6 7 o o + 6 16 o o + 7 9 o o o 7 13 - o o 7 17 o o o 7 11 o o o 8 9 o - o 10 15 o + o 11 13 o o o 12 14 o o o 16 17 o - o 