data_HfCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   18.98
_cell_angle_beta   18.98
_cell_angle_gamma   18.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrRe2
_chemical_formula_sum   'Hf1 Cr1 Re2'
_cell_volume   63.74
_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  0.62  1.0
  Cr  Cr0  1  0.0  0.0  0.15  1.0
  Re  Re2  1  0.0  0.0  0.87  1.0
  Re  Re3  1  0.0  0.0  0.41  1.0

data_HfCrRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.91
_cell_length_c   8.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCrRe2
_chemical_formula_sum   'Hf2 Cr2 Re4'
_cell_volume   127.48
_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  0.38  1.0
  Cr  Cr1  2  0.0  0.0  0.85  1.0
  Re  Re2  2  0.0  0.0  0.59  1.0
  Re  Re3  2  0.0  0.0  0.13  1.0

Hf Cr Re Re