data_Cd2AgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   134.79
_cell_angle_beta   128.53
_cell_angle_gamma   70.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AgRh
_chemical_formula_sum   'Cd2 Ag1 Rh1'
_cell_volume   76.03
_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  Cd1  1  0.99  0.0  0.99  1.0
  Cd  Cd2  1  0.0  0.25  0.24  1.0
  Ag  Ag0  1  0.0  0.0  0.23  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Cd2AgRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.99
_cell_length_b   4.51
_cell_length_c   5.19
_cell_angle_alpha   115.74
_cell_angle_beta   112.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AgRh
_chemical_formula_sum   'Cd2 Ag1 Rh1'
_cell_volume   76.03
_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  0.01  0.01  0.01  1.0
  Cd  Cd1  1  0.76  0.01  0.01  1.0
  Ag  Ag2  1  0.77  0.77  0.77  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Cd Cd Ag Rh
Cd Cd Ag Rh 0 3 + o + 0 1 + o + 0 2 + o + 1 3 o o o 1 2 o o o 2 3 o o o 