data_HfRePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   146.12
_cell_angle_beta   146.12
_cell_angle_gamma   48.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRePb
_chemical_formula_sum   'Hf1 Re1 Pb1'
_cell_volume   61.61
_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  0.24  1.0
  Re  Re2  1  0.0  0.0  0.98  1.0
  Pb  Pb1  1  0.0  0.0  0.42  1.0

data_HfRePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.84
_cell_angle_alpha   90.0
_cell_angle_beta   114.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfRePb
_chemical_formula_sum   'Hf2 Re2 Pb2'
_cell_volume   123.23
_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  0.76  1.0
  Re  Re1  2  0.0  0.0  0.02  1.0
  Pb  Pb2  2  0.0  0.0  0.58  1.0

Hf Re Pb
Hf Re Pb 0 2 o o o 0 1 o o - 