data_Si4P6Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   14.87
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si4P6Pb
_chemical_formula_sum   'Si8 P12 Pb2'
_cell_volume   483.49
_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
  Si  Si14  1  0.01  0.25  0.0  1.0
  Si  Si15  1  0.3  0.61  0.0  1.0
  Si  Si16  1  0.95  0.82  0.0  1.0
  Si  Si17  1  0.35  0.05  0.0  1.0
  Si  Si18  1  0.62  0.7  0.75  1.0
  Si  Si19  1  0.69  0.16  0.75  1.0
  Si  Si20  1  0.34  0.14  0.75  1.0
  Si  Si21  1  0.97  0.73  0.75  1.0
  P  P0  1  0.89  0.36  0.0  1.0
  P  P1  1  0.42  0.51  0.0  1.0
  P  P2  1  0.07  0.92  0.0  1.0
  P  P3  1  0.24  0.94  0.0  1.0
  P  P4  1  0.05  0.95  0.75  1.0
  P  P5  1  0.26  0.92  0.75  1.0
  P  P6  1  0.91  0.51  0.75  1.0
  P  P7  1  0.39  0.35  0.75  1.0
  P  P8  1  0.34  0.36  0.75  1.0
  P  P9  1  0.96  0.51  0.75  1.0
  P  P10  1  0.31  0.92  0.75  1.0
  P  P11  1  1.0  0.94  0.75  1.0
  Pb  Pb12  1  0.65  0.43  0.0  1.0
  Pb  Pb13  1  0.0  0.0  0.0  1.0

data_Si4P6Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   9.31
_cell_length_c   14.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si4P6Pb
_chemical_formula_sum   'Si8 P12 Pb2'
_cell_volume   483.49
_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
  Si  Si0  1  -0.0  0.95  0.82  1.0
  Si  Si1  1  -0.0  0.3  0.61  1.0
  Si  Si2  1  -0.0  0.35  0.05  1.0
  Si  Si3  1  -0.0  0.01  0.25  1.0
  Si  Si4  1  0.75  0.34  0.14  1.0
  Si  Si5  1  0.75  0.62  0.7  1.0
  Si  Si6  1  0.75  0.69  0.16  1.0
  Si  Si7  1  0.75  0.97  0.73  1.0
  P  P8  1  -0.0  0.89  0.36  1.0
  P  P9  1  -0.0  0.24  0.94  1.0
  P  P10  1  -0.0  0.07  0.92  1.0
  P  P11  1  -0.0  0.42  0.51  1.0
  P  P12  1  0.75  0.05  0.95  1.0
  P  P13  1  0.75  0.26  0.92  1.0
  P  P14  1  0.75  0.31  0.92  1.0
  P  P15  1  0.75  0.34  0.36  1.0
  P  P16  1  0.75  0.39  0.35  1.0
  P  P17  1  0.75  0.91  0.51  1.0
  P  P18  1  0.75  0.96  0.51  1.0
  P  P19  1  0.75  1.0  0.94  1.0
  Pb  Pb20  1  -0.0  0.65  0.43  1.0
  Pb  Pb21  1  0.0  0.0  0.0  1.0

Si Si Si Si Si Si Si Si P P P P P P P P P P P P Pb Pb