data_Cd2HgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.91
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   93.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgRh
_chemical_formula_sum   'Cd2 Hg1 Rh1'
_cell_volume   77.12
_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
  Cd  Cd0  1  0.32  0.96  0.4  1.0
  Cd  Cd1  1  0.39  0.96  0.95  1.0
  Hg  Hg2  1  0.8  0.0  0.17  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Cd2HgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.91
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   93.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgRh
_chemical_formula_sum   'Cd2 Hg1 Rh1'
_cell_volume   77.12
_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
  Cd  Cd0  1  0.32  0.96  0.4  1.0
  Cd  Cd1  1  0.39  0.96  0.95  1.0
  Hg  Hg2  1  0.8  0.0  0.17  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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