data_HfSi2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.31
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Rh
_chemical_formula_sum   'Hf1 Si2 Rh1'
_cell_volume   61.52
_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  0.53  0.66  0.91  1.0
  Si  Si2  1  0.53  0.66  0.99  1.0
  Si  Si3  1  0.0  0.0  0.33  1.0
  Rh  Rh1  1  0.0  0.0  0.9  1.0

data_HfSi2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.31
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSi2Rh
_chemical_formula_sum   'Hf1 Si2 Rh1'
_cell_volume   61.52
_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  0.53  0.66  0.91  1.0
  Si  Si1  1  0.0  0.0  0.33  1.0
  Si  Si2  1  0.53  0.66  0.99  1.0
  Rh  Rh3  1  0.0  0.0  0.9  1.0

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