data_HfFeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   143.22
_cell_angle_beta   143.22
_cell_angle_gamma   53.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeRh
_chemical_formula_sum   'Hf1 Fe1 Rh1'
_cell_volume   47.44
_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  0.04  1.0
  Fe  Fe0  1  0.0  0.0  0.03  1.0
  Rh  Rh2  1  0.0  0.0  0.06  1.0

data_HfFeRh
_symmetry_space_group_name_H-M   I4mm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   107
_chemical_formula_structural   HfFeRh
_chemical_formula_sum   'Hf2 Fe2 Rh2'
_cell_volume   94.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, z'
  9  'x+1/2, y+1/2, z+1/2'
  10  '-y+1/2, x+1/2, z+1/2'
  11  '-x+1/2, -y+1/2, z+1/2'
  12  'y+1/2, -x+1/2, z+1/2'
  13  '-x+1/2, y+1/2, z+1/2'
  14  'y+1/2, x+1/2, z+1/2'
  15  'x+1/2, -y+1/2, z+1/2'
  16  '-y+1/2, -x+1/2, z+1/2'
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  0.96  1.0
  Fe  Fe1  2  0.0  0.0  0.96  1.0
  Rh  Rh2  2  0.0  0.0  0.95  1.0

Hf Fe Rh