data_HfRe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.57
_cell_angle_alpha   113.16
_cell_angle_beta   113.16
_cell_angle_gamma   35.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2Pb
_chemical_formula_sum   'Hf1 Re2 Pb1'
_cell_volume   73.12
_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  0.27  0.0  0.02  1.0
  Re  Re2  1  0.1  0.0  0.0  1.0
  Re  Re3  1  0.29  0.0  0.02  1.0
  Pb  Pb1  1  0.32  0.0  0.2  1.0

data_HfRe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.57
_cell_length_c   5.53
_cell_angle_alpha   113.16
_cell_angle_beta   107.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2Pb
_chemical_formula_sum   'Hf1 Re2 Pb1'
_cell_volume   73.12
_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  0.02  0.27  1.0
  Re  Re1  1  0.0  0.0  0.1  1.0
  Re  Re2  1  0.0  0.02  0.29  1.0
  Pb  Pb3  1  0.0  0.2  0.32  1.0

Hf Re Re Pb
Hf Re Re Pb 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 