data_HfFe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   2.74
_cell_angle_alpha   99.16
_cell_angle_beta   99.16
_cell_angle_gamma   114.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Re
_chemical_formula_sum   'Hf1 Fe2 Re1'
_cell_volume   58.36
_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  Hf2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.94  0.92  0.31  1.0
  Fe  Fe1  1  0.94  0.08  0.31  1.0
  Re  Re3  1  0.68  0.0  0.0  1.0

data_HfFe2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   114.26
_cell_angle_beta   99.16
_cell_angle_gamma   99.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFe2Re
_chemical_formula_sum   'Hf1 Fe2 Re1'
_cell_volume   58.36
_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  0.0  1.0
  Fe  Fe1  1  0.31  0.94  0.08  1.0
  Fe  Fe2  1  0.31  0.94  0.92  1.0
  Re  Re3  1  0.0  0.68  0.0  1.0

Hf Fe Fe Re