data_BaCd2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Rh
_chemical_formula_sum   'Ba1 Cd2 Rh1'
_cell_volume   99.94
_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
  Ba  Ba0  1  0.96  0.0  0.0  1.0
  Cd  Cd1  1  0.48  0.62  0.78  1.0
  Cd  Cd2  1  0.48  0.38  0.78  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_BaCd2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   116.26
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCd2Rh
_chemical_formula_sum   'Ba1 Cd2 Rh1'
_cell_volume   99.94
_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
  Ba  Ba0  1  0.0  0.96  0.0  1.0
  Cd  Cd1  1  0.78  0.48  0.62  1.0
  Cd  Cd2  1  0.78  0.48  0.38  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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