data_TbCdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   3.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCdPd
_chemical_formula_sum   'Tb3 Cd3 Pd3'
_cell_volume   199.6
_cell_formula_units_Z   3
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  0.55  0.0  0.0  1.0
  Tb  Tb1  1  0.73  0.94  0.0  1.0
  Tb  Tb2  1  0.56  0.7  0.0  1.0
  Cd  Cd3  1  0.97  0.0  0.96  1.0
  Cd  Cd4  1  0.01  0.71  0.96  1.0
  Cd  Cd5  1  0.85  0.93  0.96  1.0
  Pd  Pd6  1  0.0  0.43  0.96  1.0
  Pd  Pd7  1  0.83  0.21  0.96  1.0
  Pd  Pd8  1  0.0  0.0  0.0  1.0

data_TbCdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbCdPd
_chemical_formula_sum   'Tb3 Cd3 Pd3'
_cell_volume   199.6
_cell_formula_units_Z   3
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  -0.0  0.73  0.94  1.0
  Tb  Tb1  1  -0.0  0.56  0.7  1.0
  Tb  Tb2  1  -0.0  0.55  0.0  1.0
  Cd  Cd3  1  0.96  0.01  0.71  1.0
  Cd  Cd4  1  0.96  0.85  0.93  1.0
  Cd  Cd5  1  0.96  0.97  0.0  1.0
  Pd  Pd6  1  0.0  0.0  0.0  1.0
  Pd  Pd7  1  0.96  0.0  0.43  1.0
  Pd  Pd8  1  0.96  0.83  0.21  1.0

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