data_BaIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.83
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIr2Pb
_chemical_formula_sum   'Ba1 Ir2 Pb1'
_cell_volume   92.02
_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  0.0  1.0
  Ir  Ir1  1  0.64  0.92  0.25  1.0
  Ir  Ir2  1  0.5  0.92  0.09  1.0
  Pb  Pb3  1  0.93  0.0  0.67  1.0

data_BaIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.83
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   91.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIr2Pb
_chemical_formula_sum   'Ba1 Ir2 Pb1'
_cell_volume   92.02
_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  0.0  1.0
  Ir  Ir1  1  0.5  0.92  0.09  1.0
  Ir  Ir2  1  0.64  0.92  0.25  1.0
  Pb  Pb3  1  0.93  0.0  0.67  1.0

Ba Ir Ir Pb