data_CdCuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuRh2
_chemical_formula_sum   'Cd1 Cu1 Rh2'
_cell_volume   61.31
_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  0.55  0.0  0.34  1.0
  Cu  Cu1  1  0.0  0.0  0.08  1.0
  Rh  Rh2  1  0.55  0.0  0.04  1.0
  Rh  Rh3  1  0.0  0.0  0.67  1.0

data_CdCuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCuRh2
_chemical_formula_sum   'Cd1 Cu1 Rh2'
_cell_volume   61.31
_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  0.55  0.0  0.34  1.0
  Cu  Cu1  1  0.0  0.0  0.08  1.0
  Rh  Rh2  1  0.0  0.0  0.67  1.0
  Rh  Rh3  1  0.55  0.0  0.04  1.0

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