data_BiB2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   148.38
_cell_angle_beta   148.38
_cell_angle_gamma   45.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Pb
_chemical_formula_sum   'Bi1 B2 Pb1'
_cell_volume   81.0
_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
  Bi  Bi2  1  0.81  0.0  0.07  1.0
  B  B0  1  0.0  0.81  0.07  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.15  1.0

data_BiB2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   6.66
_cell_angle_alpha   105.81
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2Pb
_chemical_formula_sum   'Bi1 B2 Pb1'
_cell_volume   81.0
_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
  Bi  Bi0  1  0.07  0.26  0.26  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.26  0.07  0.26  1.0
  Pb  Pb3  1  0.15  0.15  0.15  1.0

Bi B B Pb
Bi B B Pb 0 1 + - o 0 3 + o o 1 3 o + o 2 3 o o o 