data_HfIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   135.24
_cell_angle_beta   135.24
_cell_angle_gamma   65.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIr2Pb
_chemical_formula_sum   'Hf1 Ir2 Pb1'
_cell_volume   72.31
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.01  0.0  0.23  1.0
  Ir  Ir2  1  0.0  0.0  0.46  1.0
  Pb  Pb3  1  0.0  0.01  0.23  1.0

data_HfIr2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   122.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfIr2Pb
_chemical_formula_sum   'Hf2 Ir4 Pb2'
_cell_volume   144.62
_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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.04  0.5  0.54  1.0
  Ir  Ir2  2  0.28  0.5  0.79  1.0
  Pb  Pb3  2  0.28  0.5  0.79  1.0

Hf Ir Ir Pb