data_Hf2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2OsPb
_chemical_formula_sum   'Hf2 Os1 Pb1'
_cell_volume   79.22
_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  0.52  0.98  0.62  1.0
  Hf  Hf1  1  0.52  0.02  0.62  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.03  0.0  0.0  1.0

data_Hf2OsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   106.08
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2OsPb
_chemical_formula_sum   'Hf2 Os1 Pb1'
_cell_volume   79.22
_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  0.62  0.52  0.02  1.0
  Hf  Hf1  1  0.62  0.52  0.98  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.03  0.0  1.0

Hf Hf Os Pb
Hf Hf Os Pb 0 1 o + o 2 3 o o o 