data_BiPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84
_cell_length_b   10.84
_cell_length_c   10.84
_cell_angle_alpha   153.41
_cell_angle_beta   153.41
_cell_angle_gamma   37.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiPb3
_chemical_formula_sum   'Bi2 Pb6'
_cell_volume   254.88
_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
  Bi  Bi0  1  0.0  0.0  0.8  1.0
  Bi  Bi1  1  0.0  0.0  0.71  1.0
  Pb  Pb2  1  0.0  0.49  0.0  1.0
  Pb  Pb3  1  0.49  0.0  0.0  1.0
  Pb  Pb4  1  0.49  0.0  0.13  1.0
  Pb  Pb5  1  0.0  0.49  0.13  1.0
  Pb  Pb6  1  0.0  0.0  0.94  1.0
  Pb  Pb7  1  0.0  0.0  0.56  1.0

data_BiPb3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiPb3
_chemical_formula_sum   'Bi4 Pb12'
_cell_volume   509.77
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Bi  Bi0  2  0.0  0.0  0.2  1.0
  Bi  Bi1  2  0.0  0.0  0.29  1.0
  Pb  Pb2  4  0.25  0.25  0.37  1.0
  Pb  Pb3  4  0.25  0.25  0.49  1.0
  Pb  Pb4  2  0.0  0.0  0.06  1.0
  Pb  Pb5  2  0.0  0.0  0.44  1.0

Bi Bi Pb Pb Pb Pb Pb Pb