data_Ba2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   9.9
_cell_angle_alpha   25.23
_cell_angle_beta   25.23
_cell_angle_gamma   25.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2IrPb
_chemical_formula_sum   'Ba2 Ir1 Pb1'
_cell_volume   155.05
_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
  Ba  Ba0  1  0.0  0.0  0.78  1.0
  Ba  Ba1  1  0.0  0.0  0.95  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.37  1.0

data_Ba2IrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.49
_cell_length_b   4.32
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   104.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2IrPb
_chemical_formula_sum   'Ba4 Ir2 Pb2'
_cell_volume   310.11
_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
  Ba  Ba0  2  0.0  0.0  0.05  1.0
  Ba  Ba1  2  0.0  0.0  0.22  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  0.0  0.0  0.63  1.0

Ba Ba Ir Pb