data_HfSiRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   131.15
_cell_angle_beta   123.86
_cell_angle_gamma   77.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiRh2
_chemical_formula_sum   'Hf1 Si1 Rh2'
_cell_volume   61.48
_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  0.63  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.19  1.0  1.0
  Rh  Rh2  1  0.93  0.0  0.64  1.0

data_HfSiRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.39
_cell_length_c   4.66
_cell_angle_alpha   118.07
_cell_angle_beta   114.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiRh2
_chemical_formula_sum   'Hf1 Si1 Rh2'
_cell_volume   61.48
_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  0.37  0.37  0.37  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.2  0.2  1.0
  Rh  Rh3  1  0.29  0.36  0.29  1.0

Hf Si Rh Rh
Hf Si Rh Rh 0 3 - o o 1 2 o o - 2 3 - o o 