data_Pr3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Sn
_chemical_formula_sum   'Pr6 Sn2'
_cell_volume   249.48
_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  0.0  0.17  0.25  1.0
  Pr  Pr1  1  0.69  0.09  0.25  1.0
  Pr  Pr2  1  0.31  0.09  0.25  1.0
  Pr  Pr3  1  0.57  0.01  0.42  1.0
  Pr  Pr4  1  0.88  0.08  0.42  1.0
  Pr  Pr5  1  0.25  0.08  0.42  1.0
  Sn  Sn6  1  0.0  0.12  0.42  1.0
  Sn  Sn7  1  0.57  0.06  0.25  1.0

data_Pr3Sn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.67
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr3Sn
_chemical_formula_sum   'Pr6 Sn2'
_cell_volume   249.48
_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
  Pr  Pr0  2  0.08  0.28  0.92  1.0
  Pr  Pr1  2  0.08  0.59  1.0  1.0
  Pr  Pr2  2  0.08  0.97  1.0  1.0
  Sn  Sn3  2  0.08  0.72  0.03  1.0

Pr Pr Pr Pr Pr Pr Sn Sn