data_HfAlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.8
_cell_angle_alpha   101.9
_cell_angle_beta   101.9
_cell_angle_gamma   115.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlRe2
_chemical_formula_sum   'Hf1 Al1 Re2'
_cell_volume   64.63
_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  Hf1  1  0.82  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.87  0.78  0.29  1.0
  Re  Re3  1  0.87  0.22  0.29  1.0

data_HfAlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.24
_cell_length_c   5.26
_cell_angle_alpha   117.8
_cell_angle_beta   101.9
_cell_angle_gamma   96.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAlRe2
_chemical_formula_sum   'Hf1 Al1 Re2'
_cell_volume   64.63
_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  0.82  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.07  0.78  0.65  1.0
  Re  Re3  1  0.51  0.22  0.09  1.0

Hf Al Re Re