data_HfCuRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   17.45
_cell_angle_beta   17.45
_cell_angle_gamma   17.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuRe2
_chemical_formula_sum   'Hf1 Cu1 Re2'
_cell_volume   63.75
_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  0.0  0.0  0.83  1.0
  Cu  Cu0  1  0.0  0.0  0.67  1.0
  Re  Re2  1  0.0  0.0  0.18  1.0
  Re  Re3  1  0.0  0.0  0.65  1.0

data_HfCuRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCuRe2
_chemical_formula_sum   'Hf2 Cu2 Re4'
_cell_volume   127.51
_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  0.17  1.0
  Re  Re1  2  -0.0  0.0  0.82  1.0
  Cu  Cu2  2  -0.0  0.0  0.33  1.0
  Re  Re3  2  -0.0  0.0  0.35  1.0

Hf Cu Re Re