data_HfHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHgRh2
_chemical_formula_sum   'Hf1 Hg1 Rh2'
_cell_volume   70.96
_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  0.52  1.0
  Hg  Hg1  1  0.53  0.53  0.79  1.0
  Rh  Rh2  1  0.0  0.0  0.1  1.0
  Rh  Rh3  1  0.53  0.53  0.91  1.0

data_HfHgRh2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfHgRh2
_chemical_formula_sum   'Hf2 Hg2 Rh4'
_cell_volume   141.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.52  1.0
  Hg  Hg1  2  0.03  0.5  0.79  1.0
  Rh  Rh2  2  0.0  0.0  0.1  1.0
  Rh  Rh3  2  0.03  0.5  0.91  1.0

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