data_Tb2CdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34
_cell_length_b   7.34
_cell_length_c   3.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2CdNi2
_chemical_formula_sum   'Tb4 Cd2 Ni4'
_cell_volume   198.86
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.99  0.32  0.84  1.0
  Tb  Tb1  1  0.35  0.02  0.84  1.0
  Tb  Tb2  1  0.32  0.35  0.84  1.0
  Tb  Tb3  1  0.02  0.99  0.84  1.0
  Cd  Cd4  1  0.0  0.0  0.0  1.0
  Cd  Cd5  1  0.67  0.67  0.0  1.0
  Ni  Ni6  1  0.85  0.52  0.0  1.0
  Ni  Ni7  1  0.49  0.82  0.0  1.0
  Ni  Ni8  1  0.52  0.49  0.0  1.0
  Ni  Ni9  1  0.82  0.85  0.0  1.0

data_Tb2CdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   7.34
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2CdNi2
_chemical_formula_sum   'Tb4 Cd2 Ni4'
_cell_volume   198.86
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.84  0.02  0.99  1.0
  Tb  Tb1  1  0.84  0.32  0.35  1.0
  Tb  Tb2  1  0.84  0.35  0.02  1.0
  Tb  Tb3  1  0.84  0.99  0.32  1.0
  Cd  Cd4  1  0.0  0.0  0.0  1.0
  Cd  Cd5  1  0.0  0.67  0.67  1.0
  Ni  Ni6  1  0.0  0.49  0.82  1.0
  Ni  Ni7  1  0.0  0.52  0.49  1.0
  Ni  Ni8  1  0.0  0.82  0.85  1.0
  Ni  Ni9  1  0.0  0.85  0.52  1.0

Tb Tb Tb Tb Cd Cd Ni Ni Ni Ni
Tb Tb Tb Tb Cd Cd Ni Ni Ni Ni 0 6 o o + 1 7 o - + 2 8 o o + 3 4 o + + 3 9 - o + 4 9 - - o 5 8 o o o 5 7 o o o 5 6 o o o 5 9 o o o 