data_CdHgRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.63
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgRh2
_chemical_formula_sum   'Cd1 Hg1 Rh2'
_cell_volume   69.6
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.25  0.0  0.6  1.0
  Rh  Rh2  1  0.44  0.31  0.93  1.0
  Rh  Rh3  1  0.07  0.31  0.27  1.0

data_CdHgRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.63
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgRh2
_chemical_formula_sum   'Cd1 Hg1 Rh2'
_cell_volume   69.6
_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  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.25  0.0  0.6  1.0
  Rh  Rh2  1  0.07  0.31  0.27  1.0
  Rh  Rh3  1  0.44  0.31  0.93  1.0

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