data_Cd2ReRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.26
_cell_angle_alpha   97.61
_cell_angle_beta   97.61
_cell_angle_gamma   34.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReRh
_chemical_formula_sum   'Cd2 Re1 Rh1'
_cell_volume   68.53
_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  0.24  0.0  0.04  1.0
  Cd  Cd1  1  0.81  0.0  0.28  1.0
  Re  Re2  1  0.3  0.0  0.79  1.0
  Rh  Rh3  1  0.75  0.0  0.71  1.0

data_Cd2ReRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.85
_cell_length_c   5.26
_cell_angle_alpha   97.61
_cell_angle_beta   90.0
_cell_angle_gamma   107.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2ReRh
_chemical_formula_sum   'Cd2 Re1 Rh1'
_cell_volume   68.53
_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  0.19  0.72  1.0
  Cd  Cd1  1  0.0  0.76  0.96  1.0
  Re  Re2  1  0.0  0.7  0.21  1.0
  Rh  Rh3  1  0.0  0.25  0.29  1.0

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