data_BaIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIr2Pb
_chemical_formula_sum   'Ba1 Ir2 Pb1'
_cell_volume   90.54
_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  0.69  0.99  0.68  1.0
  Ir  Ir2  1  0.69  0.01  0.68  1.0
  Pb  Pb3  1  0.38  0.0  0.0  1.0

data_BaIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   99.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIr2Pb
_chemical_formula_sum   'Ba1 Ir2 Pb1'
_cell_volume   90.54
_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  0.68  0.69  0.01  1.0
  Ir  Ir2  1  0.68  0.69  0.99  1.0
  Pb  Pb3  1  -0.0  0.38  0.0  1.0

Ba Ir Ir Pb