data_Tb2Pr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.1
_cell_length_b   9.1
_cell_length_c   9.1
_cell_angle_alpha   22.97
_cell_angle_beta   22.97
_cell_angle_gamma   22.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Pr
_chemical_formula_sum   'Tb2 Pr1'
_cell_volume   100.69
_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
  Tb  Tb0  1  0.0  0.0  0.96  1.0
  Tb  Tb1  1  0.0  0.0  0.52  1.0
  Pr  Pr2  1  0.0  0.0  0.66  1.0

data_Tb2Pr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   3.62
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   103.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tb2Pr
_chemical_formula_sum   'Tb4 Pr2'
_cell_volume   201.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.04  1.0
  Tb  Tb1  2  0.0  0.0  0.48  1.0
  Pr  Pr2  2  0.0  0.0  0.34  1.0

Tb Tb Pr
Tb Tb Pr 0 2 o o o 1 2 o o o 