data_Sn2P5Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41
_cell_length_b   11.57
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2P5Pb
_chemical_formula_sum   'Sn4 P10 Pb2'
_cell_volume   395.26
_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
  Sn  Sn12  1  0.12  0.26  0.64  1.0
  Sn  Sn13  1  0.29  0.31  0.64  1.0
  Sn  Sn14  1  0.33  0.53  0.64  1.0
  Sn  Sn15  1  0.08  0.05  0.64  1.0
  P  P0  1  0.39  0.17  0.64  1.0
  P  P1  1  0.02  0.4  0.64  1.0
  P  P2  1  0.6  0.19  0.64  1.0
  P  P3  1  0.81  0.38  0.64  1.0
  P  P4  1  0.28  0.48  0.0  1.0
  P  P5  1  0.14  0.09  0.0  1.0
  P  P6  1  0.48  0.31  0.0  1.0
  P  P7  1  0.93  0.26  0.0  1.0
  P  P8  1  0.21  0.79  0.0  1.0
  P  P9  1  0.0  0.0  0.0  1.0
  Pb  Pb10  1  0.21  0.0  0.0  1.0
  Pb  Pb11  1  0.0  0.79  0.0  1.0

data_Sn2P5Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   10.41
_cell_length_c   11.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2P5Pb
_chemical_formula_sum   'Sn4 P10 Pb2'
_cell_volume   395.26
_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
  Sn  Sn0  1  0.64  0.08  0.05  1.0
  Sn  Sn1  1  0.64  0.12  0.26  1.0
  Sn  Sn2  1  0.64  0.29  0.31  1.0
  Sn  Sn3  1  0.64  0.33  0.53  1.0
  P  P4  1  0.0  0.0  0.0  1.0
  P  P5  1  0.0  0.14  0.09  1.0
  P  P6  1  0.0  0.21  0.79  1.0
  P  P7  1  0.0  0.28  0.48  1.0
  P  P8  1  0.0  0.48  0.31  1.0
  P  P9  1  0.0  0.93  0.26  1.0
  P  P10  1  0.64  0.02  0.4  1.0
  P  P11  1  0.64  0.39  0.17  1.0
  P  P12  1  0.64  0.6  0.19  1.0
  P  P13  1  0.64  0.81  0.38  1.0
  Pb  Pb14  1  0.0  -0.0  0.79  1.0
  Pb  Pb15  1  0.0  0.21  0.0  1.0

Sn Sn Sn Sn P P P P P P P P P P Pb Pb