data_Pr6Ni3Sn14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   27.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6Ni3Sn14
_chemical_formula_sum   'Pr6 Ni3 Sn14'
_cell_volume   583.47
_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
  Pr  Pr0  1  0.29  0.3  0.57  1.0
  Pr  Pr1  1  0.29  0.0  0.72  1.0
  Pr  Pr2  1  0.29  0.0  0.98  1.0
  Pr  Pr3  1  0.29  0.3  0.14  1.0
  Pr  Pr4  1  0.0  0.0  0.0  1.0
  Pr  Pr5  1  0.0  0.3  0.79  1.0
  Ni  Ni6  1  0.0  0.0  0.57  1.0
  Ni  Ni7  1  0.0  0.0  0.14  1.0
  Ni  Ni8  1  0.0  0.3  0.27  1.0
  Sn  Sn9  1  0.29  0.3  0.43  1.0
  Sn  Sn10  1  0.29  0.0  0.49  1.0
  Sn  Sn11  1  0.29  0.0  0.21  1.0
  Sn  Sn12  1  0.29  0.3  0.35  1.0
  Sn  Sn13  1  0.0  0.3  0.21  1.0
  Sn  Sn14  1  0.0  0.0  0.35  1.0
  Sn  Sn15  1  0.0  0.0  0.44  1.0
  Sn  Sn16  1  0.0  0.3  0.49  1.0
  Sn  Sn17  1  0.0  0.3  0.76  1.0
  Sn  Sn18  1  0.0  0.0  0.06  1.0
  Sn  Sn19  1  0.0  0.0  0.63  1.0
  Sn  Sn20  1  0.0  0.3  0.79  1.0
  Sn  Sn21  1  0.29  0.3  0.0  1.0
  Sn  Sn22  1  0.29  0.0  0.86  1.0

data_Pr6Ni3Sn14
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   27.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr6Ni3Sn14
_chemical_formula_sum   'Pr6 Ni3 Sn14'
_cell_volume   583.47
_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
  Pr  Pr0  1  0.0  0.0  0.0  1.0
  Pr  Pr1  1  0.0  0.3  0.79  1.0
  Pr  Pr2  1  0.29  0.0  0.72  1.0
  Pr  Pr3  1  0.29  0.0  0.98  1.0
  Pr  Pr4  1  0.29  0.3  0.14  1.0
  Pr  Pr5  1  0.29  0.3  0.57  1.0
  Ni  Ni6  1  0.0  0.0  0.14  1.0
  Ni  Ni7  1  0.0  0.0  0.57  1.0
  Ni  Ni8  1  0.0  0.3  0.27  1.0
  Sn  Sn9  1  0.0  0.0  0.06  1.0
  Sn  Sn10  1  0.0  0.0  0.35  1.0
  Sn  Sn11  1  0.0  0.0  0.44  1.0
  Sn  Sn12  1  0.0  0.0  0.63  1.0
  Sn  Sn13  1  0.0  0.3  0.21  1.0
  Sn  Sn14  1  0.0  0.3  0.49  1.0
  Sn  Sn15  1  0.0  0.3  0.76  1.0
  Sn  Sn16  1  0.0  0.3  0.79  1.0
  Sn  Sn17  1  0.29  0.0  0.21  1.0
  Sn  Sn18  1  0.29  0.0  0.49  1.0
  Sn  Sn19  1  0.29  0.0  0.86  1.0
  Sn  Sn20  1  0.29  0.3  0.0  1.0
  Sn  Sn21  1  0.29  0.3  0.35  1.0
  Sn  Sn22  1  0.29  0.3  0.43  1.0
