data_CaCd2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   144.16
_cell_angle_beta   132.01
_cell_angle_gamma   61.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Rh
_chemical_formula_sum   'Ca1 Cd2 Rh1'
_cell_volume   84.07
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.79  0.0  0.82  1.0
  Cd  Cd2  1  0.0  0.36  0.17  1.0
  Rh  Rh3  1  0.0  0.0  0.99  1.0

data_CaCd2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.72
_cell_length_c   5.8
_cell_angle_alpha   113.99
_cell_angle_beta   107.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCd2Rh
_chemical_formula_sum   'Ca1 Cd2 Rh1'
_cell_volume   84.07
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.83  0.19  0.19  1.0
  Cd  Cd2  1  0.97  0.18  0.97  1.0
  Rh  Rh3  1  0.01  0.01  0.01  1.0

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