data_Pr2Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.98
_cell_length_b   17.98
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   165.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2Sn5
_chemical_formula_sum   'Pr4 Sn10'
_cell_volume   391.22
_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
  Pr  Pr0  1  0.33  0.59  0.35  1.0
  Pr  Pr1  1  0.33  0.41  0.35  1.0
  Pr  Pr2  1  0.33  0.39  0.35  1.0
  Pr  Pr3  1  0.33  0.61  0.35  1.0
  Sn  Sn4  1  0.33  0.11  0.35  1.0
  Sn  Sn5  1  0.33  0.89  0.35  1.0
  Sn  Sn6  1  0.33  0.11  0.0  1.0
  Sn  Sn7  1  0.33  0.89  0.0  1.0
  Sn  Sn8  1  0.33  0.0  0.35  1.0
  Sn  Sn9  1  0.33  0.47  0.0  1.0
  Sn  Sn10  1  0.33  0.53  0.0  1.0
  Sn  Sn11  1  0.33  0.08  0.0  1.0
  Sn  Sn12  1  0.33  0.92  0.0  1.0
  Sn  Sn13  1  0.0  0.0  0.0  1.0

data_Pr2Sn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   4.71
_cell_length_c   17.98
_cell_angle_alpha   90.0
_cell_angle_beta   97.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr2Sn5
_chemical_formula_sum   'Pr4 Sn10'
_cell_volume   391.22
_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
  Pr  Pr0  1  0.39  0.65  0.05  1.0
  Pr  Pr1  1  0.41  0.65  0.08  1.0
  Pr  Pr2  1  0.59  0.65  0.26  1.0
  Pr  Pr3  1  0.61  0.65  0.28  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.0  0.65  0.67  1.0
  Sn  Sn6  1  0.08  0.0  0.74  1.0
  Sn  Sn7  1  0.11  0.0  0.78  1.0
  Sn  Sn8  1  0.11  0.65  0.78  1.0
  Sn  Sn9  1  0.47  0.0  0.14  1.0
  Sn  Sn10  1  0.53  0.0  0.19  1.0
  Sn  Sn11  1  0.89  0.65  0.55  1.0
  Sn  Sn12  1  0.89  0.0  0.56  1.0
  Sn  Sn13  1  0.92  0.0  0.59  1.0

Pr Pr Pr Pr Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn
Pr Pr Pr Pr Sn Sn Sn Sn Sn Sn Sn Sn Sn Sn 0 3 o o o 1 2 o o o 1 13 o o o 2 13 o o o 4 11 o o o 4 6 o o o 4 8 o o o 5 7 o o o 5 12 o o o 5 8 o + o 6 11 o o o 7 12 o o o 8 11 o o o 8 12 o - o 9 10 o o o 