data_HfScRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.53
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScRe2
_chemical_formula_sum   'Hf1 Sc1 Re2'
_cell_volume   69.73
_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  0.81  0.27  1.0  1.0
  Sc  Sc3  1  0.93  0.0  0.6  1.0
  Re  Re1  1  0.85  0.0  0.07  1.0
  Re  Re2  1  0.97  0.27  0.26  1.0

data_HfScRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.53
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   102.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScRe2
_chemical_formula_sum   'Hf1 Sc1 Re2'
_cell_volume   69.73
_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  0.81  0.27  1.0  1.0
  Sc  Sc1  1  0.93  0.0  0.6  1.0
  Re  Re2  1  0.85  0.0  0.07  1.0
  Re  Re3  1  0.97  0.27  0.26  1.0

Hf Sc Re Re