data_Hg4P3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.72
_cell_length_b   10.81
_cell_length_c   16.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg4P3Pb
_chemical_formula_sum   'Hg32 P24 Pb8'
_cell_volume   1854.77
_cell_formula_units_Z   8
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
  Hg  Hg0  1  0.12  0.49  0.35  1.0
  Hg  Hg1  1  0.95  0.33  0.34  1.0
  Hg  Hg2  1  0.59  0.89  0.67  1.0
  Hg  Hg3  1  0.77  0.92  0.66  1.0
  Hg  Hg4  1  0.59  0.33  0.66  1.0
  Hg  Hg5  1  0.77  0.49  0.67  1.0
  Hg  Hg6  1  0.12  0.92  0.34  1.0
  Hg  Hg7  1  0.95  0.89  0.35  1.0
  Hg  Hg8  1  0.2  0.42  0.38  1.0
  Hg  Hg9  1  0.16  0.39  0.39  1.0
  Hg  Hg10  1  0.51  0.82  0.63  1.0
  Hg  Hg11  1  0.56  0.99  0.63  1.0
  Hg  Hg12  1  0.51  0.39  0.63  1.0
  Hg  Hg13  1  0.56  0.42  0.63  1.0
  Hg  Hg14  1  0.2  0.99  0.39  1.0
  Hg  Hg15  1  0.16  0.82  0.38  1.0
  Hg  Hg16  1  0.4  0.97  0.54  1.0
  Hg  Hg17  1  0.68  0.84  0.54  1.0
  Hg  Hg18  1  0.32  0.38  0.47  1.0
  Hg  Hg19  1  0.04  0.43  0.47  1.0
  Hg  Hg20  1  0.32  0.84  0.47  1.0
  Hg  Hg21  1  0.04  0.97  0.47  1.0
  Hg  Hg22  1  0.4  0.43  0.54  1.0
  Hg  Hg23  1  0.68  0.38  0.54  1.0
  Hg  Hg24  1  0.09  0.2  0.02  1.0
  Hg  Hg25  1  0.99  0.61  0.03  1.0
  Hg  Hg26  1  0.63  0.6  0.98  1.0
  Hg  Hg27  1  0.73  0.21  0.99  1.0
  Hg  Hg28  1  0.63  0.61  0.99  1.0
  Hg  Hg29  1  0.73  0.2  0.98  1.0
  Hg  Hg30  1  0.09  0.21  0.03  1.0
  Hg  Hg31  1  0.99  0.6  0.02  1.0
  P  P32  1  0.87  0.32  0.61  1.0
  P  P33  1  0.2  0.49  0.6  1.0
  P  P34  1  0.85  0.73  0.41  1.0
  P  P35  1  0.51  0.08  0.41  1.0
  P  P36  1  0.85  0.49  0.41  1.0
  P  P37  1  0.51  0.32  0.41  1.0
  P  P38  1  0.87  0.08  0.6  1.0
  P  P39  1  0.2  0.73  0.61  1.0
  P  P40  1  0.09  0.03  0.94  1.0
  P  P41  1  0.27  0.78  0.95  1.0
  P  P42  1  0.63  0.43  0.06  1.0
  P  P43  1  0.45  0.38  0.07  1.0
  P  P44  1  0.63  0.78  0.07  1.0
  P  P45  1  0.45  0.03  0.06  1.0
  P  P46  1  0.09  0.38  0.95  1.0
  P  P47  1  0.27  0.43  0.94  1.0
  P  P48  1  0.07  0.18  0.66  1.0
  P  P49  1  0.29  0.63  0.65  1.0
  P  P50  1  0.65  0.58  0.36  1.0
  P  P51  1  0.43  0.23  0.35  1.0
  P  P52  1  0.65  0.63  0.35  1.0
  P  P53  1  0.43  0.18  0.36  1.0
  P  P54  1  0.07  0.23  0.65  1.0
  P  P55  1  0.29  0.58  0.66  1.0
  Pb  Pb56  1  0.38  0.7  0.82  1.0
  Pb  Pb57  1  0.69  0.11  0.81  1.0
  Pb  Pb58  1  0.34  0.1  0.2  1.0
  Pb  Pb59  1  0.02  0.71  0.2  1.0
  Pb  Pb60  1  0.34  0.11  0.2  1.0
  Pb  Pb61  1  0.02  0.7  0.2  1.0
  Pb  Pb62  1  0.38  0.71  0.81  1.0
  Pb  Pb63  1  0.69  0.1  0.82  1.0

data_Hg4P3Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   10.72
_cell_length_b   10.81
_cell_length_c   16.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Hg4P3Pb
_chemical_formula_sum   'Hg32 P24 Pb8'
_cell_volume   1854.77
_cell_formula_units_Z   8
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
  Hg  Hg0  2  0.04  0.57  0.53  1.0
  Hg  Hg1  2  0.04  0.03  0.54  1.0
  Hg  Hg2  2  0.16  0.42  0.62  1.0
  Hg  Hg3  2  0.16  0.99  0.63  1.0
  Hg  Hg4  2  0.2  0.58  0.63  1.0
  Hg  Hg5  2  0.2  0.01  0.62  1.0
  Hg  Hg6  2  0.23  0.49  0.66  1.0
  Hg  Hg7  2  0.23  0.92  0.66  1.0
  Hg  Hg8  2  0.27  0.2  0.98  1.0
  Hg  Hg9  2  0.27  0.21  0.98  1.0
  Hg  Hg10  2  0.32  0.43  0.54  1.0
  Hg  Hg11  2  0.32  0.97  0.53  1.0
  Hg  Hg12  2  0.37  0.8  0.98  1.0
  Hg  Hg13  2  0.37  0.79  0.98  1.0
  Hg  Hg14  2  0.41  0.51  0.66  1.0
  Hg  Hg15  2  0.41  0.08  0.66  1.0
  P  P16  2  0.07  0.82  0.35  1.0
  P  P17  2  0.07  0.77  0.35  1.0
  P  P18  2  0.09  0.97  0.06  1.0
  P  P19  2  0.09  0.62  0.06  1.0
  P  P20  2  0.15  0.68  0.4  1.0
  P  P21  2  0.15  0.92  0.41  1.0
  P  P22  2  0.27  0.03  0.06  1.0
  P  P23  2  0.27  0.38  0.06  1.0
  P  P24  2  0.29  0.18  0.35  1.0
  P  P25  2  0.29  0.23  0.35  1.0
  P  P26  2  0.49  0.32  0.41  1.0
  P  P27  2  0.49  0.08  0.4  1.0
  Pb  Pb28  2  0.02  0.29  0.81  1.0
  Pb  Pb29  2  0.02  0.3  0.8  1.0
  Pb  Pb30  2  0.34  0.71  0.8  1.0
  Pb  Pb31  2  0.34  0.7  0.81  1.0

Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg 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 Pb Pb Pb Pb
Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg Hg 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 Pb Pb Pb Pb 0 9 o o o 0 8 o o o 0 1 - o o 0 19 o o o 1 36 o o o 1 19 + o o 1 9 + o o 2 10 o o o 2 11 o o o 2 3 o o o 2 17 o o o 3 17 o o o 3 11 o o o 3 38 o + o 4 13 o o o 4 12 o o o 4 5 o o o 4 23 o o o 5 23 o o o 5 13 o o o 5 32 o o o 6 15 o o o 6 14 o o o 6 7 - o o 6 21 o o o 7 34 o o o 7 15 + o o 7 21 + o o 8 9 o o o 8 19 o o o 9 19 o o o 10 16 o o o 10 17 o o o 11 16 o o o 11 17 o o o 12 13 o o o 12 23 o o o 13 23 o o o 14 20 o o o 14 21 o o o 15 20 o o o 15 21 o o o 16 20 o o o 18 22 o o o 19 36 - o o 23 32 o o o 24 30 o o o 24 40 o o - 24 46 o o - 25 31 o o o 26 28 o o o 26 42 o o + 26 44 o o + 27 29 o o o 28 42 o o + 28 44 o o + 30 40 o o - 30 46 o o - 32 38 o o o 32 54 + o o 32 48 + o o 33 55 o o o 33 49 o o o 34 52 o o o 34 50 o o o 34 36 o o o 35 53 o o o 36 52 o o o 36 50 o o o 37 53 o o o 37 51 o o o 38 54 + o o 38 48 + o o 39 49 o o o 41 62 o o o 41 56 o o o 42 43 o o o 45 60 o o o 45 58 o o o 46 47 o o o 48 54 o o o 49 55 o o o 50 52 o o o 51 53 o o o 56 62 o o o 57 63 o o o 58 60 o o o 59 61 o o o 