data_HfRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   21.42
_cell_angle_beta   21.42
_cell_angle_gamma   21.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRh
_chemical_formula_sum   'Hf2 Rh2'
_cell_volume   77.06
_cell_formula_units_Z   2
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  0.64  1.0
  Hf  Hf1  1  0.0  0.0  0.86  1.0
  Rh  Rh2  1  0.0  0.0  0.13  1.0
  Rh  Rh3  1  0.0  0.0  0.37  1.0

data_HfRh
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.6
_cell_length_b   3.24
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   102.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   HfRh
_chemical_formula_sum   'Hf4 Rh4'
_cell_volume   154.12
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  0.0  0.0  0.11  1.0
  Rh  Rh1  4  0.0  0.0  0.38  1.0

Hf Hf Rh Rh