data_Y2P6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.68
_cell_length_b   19.56
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2P6Pb
_chemical_formula_sum   'Y8 P24 Pb4'
_cell_volume   843.72
_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
  Y  Y28  1  0.94  0.15  0.85  1.0
  Y  Y29  1  0.74  0.41  0.85  1.0
  Y  Y30  1  0.58  0.37  0.85  1.0
  Y  Y31  1  0.1  0.19  0.85  1.0
  Y  Y32  1  0.86  0.02  0.85  1.0
  Y  Y33  1  0.82  0.54  0.85  1.0
  Y  Y34  1  0.66  0.24  0.85  1.0
  Y  Y35  1  0.02  0.32  0.85  1.0
  P  P0  1  0.04  0.25  0.0  1.0
  P  P1  1  0.64  0.31  0.0  1.0
  P  P2  1  0.8  0.03  0.0  1.0
  P  P3  1  0.88  0.53  0.0  1.0
  P  P4  1  0.26  0.56  0.0  1.0
  P  P5  1  0.43  1.0  0.0  1.0
  P  P6  1  0.59  0.78  0.0  1.0
  P  P7  1  0.1  0.78  0.0  1.0
  P  P8  1  0.2  0.67  0.0  1.0
  P  P9  1  0.48  0.89  0.0  1.0
  P  P10  1  0.64  0.89  0.0  1.0
  P  P11  1  0.04  0.67  0.0  1.0
  P  P12  1  0.11  0.74  0.0  1.0
  P  P13  1  0.57  0.82  0.0  1.0
  P  P14  1  0.73  0.96  0.0  1.0
  P  P15  1  0.95  0.6  0.0  1.0
  P  P16  1  0.3  0.95  0.0  1.0
  P  P17  1  0.38  0.61  0.0  1.0
  P  P18  1  0.54  0.17  0.0  1.0
  P  P19  1  0.14  0.39  0.0  1.0
  P  P20  1  0.07  0.88  0.0  1.0
  P  P21  1  0.62  0.68  0.0  1.0
  P  P22  1  0.77  0.1  0.0  1.0
  P  P23  1  0.91  0.46  0.0  1.0
  Pb  Pb24  1  0.08  0.6  0.85  1.0
  Pb  Pb25  1  0.61  0.96  0.85  1.0
  Pb  Pb26  1  0.77  0.82  0.85  1.0
  Pb  Pb27  1  0.92  0.74  0.85  1.0

data_Y2P6Pb
_symmetry_space_group_name_H-M   P2
_cell_length_a   11.68
_cell_length_b   3.69
_cell_length_c   19.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Y2P6Pb
_chemical_formula_sum   'Y8 P24 Pb4'
_cell_volume   843.72
_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
  Y  Y0  2  0.24  0.15  0.09  1.0
  Y  Y1  2  0.32  0.15  0.96  1.0
  Y  Y2  2  0.4  0.15  0.13  1.0
  Y  Y3  2  0.48  0.15  0.26  1.0
  P  P4  2  0.04  0.0  0.33  1.0
  P  P5  2  0.09  0.0  0.72  1.0
  P  P6  2  0.14  0.0  0.61  1.0
  P  P7  2  0.2  0.0  0.89  1.0
  P  P8  2  0.23  0.0  0.54  1.0
  P  P9  2  0.24  0.0  0.5  1.0
  P  P10  2  0.27  0.0  0.4  1.0
  P  P11  2  0.3  0.0  0.03  1.0
  P  P12  2  0.3  0.0  0.61  1.0
  P  P13  2  0.39  0.0  0.68  1.0
  P  P14  2  0.43  0.0  0.82  1.0
  P  P15  2  0.46  0.0  0.75  1.0
  Pb  Pb16  2  0.27  0.15  0.68  1.0
  Pb  Pb17  2  0.42  0.15  0.54  1.0

Y Y Y Y Y Y Y Y P P P P P P P P P P P P P P P P P P P P P P P P Pb Pb Pb Pb
Y Y Y Y Y Y Y Y P P P P P P P P P P P P P P P P P P P P P P P P Pb Pb Pb Pb 0 30 o o + 0 8 + o + 0 3 + o o 1 9 o o + 1 2 o o o 1 31 o o + 2 9 o o + 3 8 o o + 4 10 o o + 5 11 o o + 6 9 o o + 6 26 o o + 7 8 o o + 7 27 o o + 10 22 o - o 10 30 o o o 11 23 o o o 11 31 o o o 12 25 o o o 13 24 o o o 14 21 o o o 14 29 o o o 14 34 o o - 15 20 o o o 15 28 o o o 15 35 - o - 16 32 o o - 16 19 o o o 16 20 o o o 17 21 o o o 17 33 o o - 17 18 o o o 18 21 o o o 18 33 o o - 18 22 o o o 18 34 o o - 19 23 - o o 19 32 o o - 19 20 o o o 19 35 - o - 20 35 - o - 21 34 o o - 22 33 o o - 23 32 + o - 34 35 o o o 