data_TbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbPd
_chemical_formula_sum   'Tb2 Pd2'
_cell_volume   91.28
_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  0.86  0.16  0.47  1.0
  Tb  Tb1  1  0.86  0.84  0.16  1.0
  Pd  Pd2  1  0.86  0.09  0.47  1.0
  Pd  Pd3  1  0.86  0.91  0.16  1.0

data_TbPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.72
_cell_length_b   4.63
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   109.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TbPd
_chemical_formula_sum   'Tb2 Pd2'
_cell_volume   91.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.16  0.34  0.16  1.0
  Pd  Pd1  2  0.09  0.34  0.09  1.0

Tb Tb Pd Pd