data_CdMoRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   130.63
_cell_angle_beta   128.8
_cell_angle_gamma   73.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoRh2
_chemical_formula_sum   'Cd1 Mo1 Rh2'
_cell_volume   62.88
_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  0.82  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.06  0.93  1.0
  Rh  Rh3  1  0.99  0.0  0.89  1.0

data_CdMoRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.13
_cell_length_c   4.78
_cell_angle_alpha   115.6
_cell_angle_beta   114.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoRh2
_chemical_formula_sum   'Cd1 Mo1 Rh2'
_cell_volume   62.88
_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  0.82  0.82  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.89  0.9  1.0
  Rh  Rh3  1  0.94  0.86  0.86  1.0

Cd Mo Rh Rh
Cd Mo Rh Rh 0 3 - o o 0 2 o o o 1 3 - o - 1 2 o o - 2 3 - o o 