data_Sb2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   149.46
_cell_angle_beta   138.1
_cell_angle_gamma   52.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PPb
_chemical_formula_sum   'Sb2 P1 Pb1'
_cell_volume   107.04
_cell_formula_units_Z   1
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
  Sb  Sb2  1  0.0  0.0  0.18  1.0
  Sb  Sb3  1  0.8  0.0  0.92  1.0
  P  P0  1  0.0  0.0  0.99  1.0
  Pb  Pb1  1  0.0  0.44  0.35  1.0

data_Sb2PPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.88
_cell_length_c   6.82
_cell_angle_alpha   110.95
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2PPb
_chemical_formula_sum   'Sb2 P1 Pb1'
_cell_volume   107.04
_cell_formula_units_Z   1
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
  Sb  Sb0  1  0.82  0.82  0.82  1.0
  Sb  Sb1  1  0.88  0.08  0.88  1.0
  P  P2  1  0.01  0.01  0.01  1.0
  Pb  Pb3  1  0.65  0.09  0.09  1.0

Sb Sb P Pb