data_Bi2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2IrPb
_chemical_formula_sum   'Bi2 Ir1 Pb1'
_cell_volume   102.69
_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  0.0  0.0  0.75  1.0
  Bi  Bi1  1  0.71  0.71  0.72  1.0
  Ir  Ir2  1  0.0  0.0  0.29  1.0
  Pb  Pb3  1  0.71  0.71  0.12  1.0

data_Bi2IrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2IrPb
_chemical_formula_sum   'Bi4 Ir2 Pb2'
_cell_volume   205.39
_cell_formula_units_Z   2
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  0.75  1.0
  Bi  Bi1  2  0.21  0.5  0.72  1.0
  Ir  Ir2  2  0.0  0.0  0.29  1.0
  Pb  Pb3  2  0.21  0.5  0.12  1.0

Bi Bi Ir Pb
Bi Bi Ir Pb 0 1 - - o 2 3 - - o 