data_Ca2CdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.88
_cell_angle_alpha   108.26
_cell_angle_beta   108.26
_cell_angle_gamma   57.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdRh
_chemical_formula_sum   'Ca2 Cd1 Rh1'
_cell_volume   112.72
_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  0.32  0.0  0.26  1.0
  Ca  Ca1  1  0.17  0.0  0.17  1.0
  Cd  Cd2  1  0.75  0.0  0.21  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Ca2CdRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.55
_cell_length_c   6.88
_cell_angle_alpha   108.26
_cell_angle_beta   90.0
_cell_angle_gamma   118.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CdRh
_chemical_formula_sum   'Ca2 Cd1 Rh1'
_cell_volume   112.72
_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  0.68  0.74  1.0
  Ca  Ca1  1  0.0  0.83  0.83  1.0
  Cd  Cd2  1  0.0  0.25  0.79  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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