data_Hf2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   8.49
_cell_angle_alpha   102.74
_cell_angle_beta   102.74
_cell_angle_gamma   58.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2IrPb
_chemical_formula_sum   'Hf2 Ir1 Pb1'
_cell_volume   93.59
_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  0.28  0.0  0.59  1.0
  Hf  Hf1  1  0.94  0.0  0.62  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.11  0.0  0.11  1.0

data_Hf2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.65
_cell_length_c   8.47
_cell_angle_alpha   77.87
_cell_angle_beta   77.8
_cell_angle_gamma   60.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2IrPb
_chemical_formula_sum   'Hf2 Ir1 Pb1'
_cell_volume   93.59
_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  0.32  0.62  1.0
  Hf  Hf1  1  0.0  0.69  0.59  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.11  1.0

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