data_Pr5Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   15.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5Si4
_chemical_formula_sum   'Pr20 Si16'
_cell_volume   965.51
_cell_formula_units_Z   4
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  0.45  0.45  0.0  1.0
  Pr  Pr1  1  0.86  0.95  0.8  1.0
  Pr  Pr2  1  0.13  0.98  0.93  1.0
  Pr  Pr3  1  0.79  0.01  0.89  1.0
  Pr  Pr4  1  0.06  0.97  0.02  1.0
  Pr  Pr5  1  0.52  0.43  0.82  1.0
  Pr  Pr6  1  0.97  0.89  0.62  1.0
  Pr  Pr7  1  0.94  0.15  0.75  1.0
  Pr  Pr8  1  0.96  0.82  0.72  1.0
  Pr  Pr9  1  0.0  0.09  0.85  1.0
  Pr  Pr10  1  0.49  0.49  0.64  1.0
  Pr  Pr11  1  0.09  0.0  0.44  1.0
  Pr  Pr12  1  0.82  0.96  0.57  1.0
  Pr  Pr13  1  0.15  0.94  0.54  1.0
  Pr  Pr14  1  0.89  0.97  0.67  1.0
  Pr  Pr15  1  0.43  0.52  0.46  1.0
  Pr  Pr16  1  0.97  0.06  0.26  1.0
  Pr  Pr17  1  0.01  0.79  0.39  1.0
  Pr  Pr18  1  0.98  0.13  0.36  1.0
  Pr  Pr19  1  0.95  0.86  0.49  1.0
  Si  Si20  1  0.53  0.63  0.73  1.0
  Si  Si21  1  0.29  0.33  0.91  1.0
  Si  Si22  1  0.68  0.36  0.91  1.0
  Si  Si23  1  0.39  0.61  0.09  1.0
  Si  Si24  1  0.34  0.56  0.55  1.0
  Si  Si25  1  0.59  0.27  0.73  1.0
  Si  Si26  1  0.62  0.65  0.73  1.0
  Si  Si27  1  0.32  0.42  0.91  1.0
  Si  Si28  1  0.42  0.32  0.37  1.0
  Si  Si29  1  0.65  0.62  0.55  1.0
  Si  Si30  1  0.27  0.59  0.55  1.0
  Si  Si31  1  0.56  0.34  0.73  1.0
  Si  Si32  1  0.61  0.39  0.19  1.0
  Si  Si33  1  0.36  0.68  0.37  1.0
  Si  Si34  1  0.33  0.29  0.37  1.0
  Si  Si35  1  0.63  0.53  0.55  1.0

data_Pr5Si4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   15.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr5Si4
_chemical_formula_sum   'Pr20 Si16'
_cell_volume   965.51
_cell_formula_units_Z   4
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  0.09  0.85  1.0
  Pr  Pr1  1  0.01  0.79  0.39  1.0
  Pr  Pr2  1  0.06  0.97  0.02  1.0
  Pr  Pr3  1  0.09  0.0  0.44  1.0
  Pr  Pr4  1  0.13  0.98  0.93  1.0
  Pr  Pr5  1  0.15  0.94  0.54  1.0
  Pr  Pr6  1  0.43  0.52  0.46  1.0
  Pr  Pr7  1  0.45  0.45  0.0  1.0
  Pr  Pr8  1  0.49  0.49  0.64  1.0
  Pr  Pr9  1  0.52  0.43  0.82  1.0
  Pr  Pr10  1  0.79  0.01  0.89  1.0
  Pr  Pr11  1  0.82  0.96  0.57  1.0
  Pr  Pr12  1  0.86  0.95  0.8  1.0
  Pr  Pr13  1  0.89  0.97  0.67  1.0
  Pr  Pr14  1  0.94  0.15  0.75  1.0
  Pr  Pr15  1  0.95  0.86  0.49  1.0
  Pr  Pr16  1  0.96  0.82  0.72  1.0
  Pr  Pr17  1  0.97  0.06  0.26  1.0
  Pr  Pr18  1  0.97  0.89  0.62  1.0
  Pr  Pr19  1  0.98  0.13  0.36  1.0
  Si  Si20  1  0.27  0.59  0.55  1.0
  Si  Si21  1  0.29  0.33  0.91  1.0
  Si  Si22  1  0.32  0.42  0.91  1.0
  Si  Si23  1  0.33  0.29  0.37  1.0
  Si  Si24  1  0.34  0.56  0.55  1.0
  Si  Si25  1  0.36  0.68  0.37  1.0
  Si  Si26  1  0.39  0.61  0.09  1.0
  Si  Si27  1  0.42  0.32  0.37  1.0
  Si  Si28  1  0.53  0.63  0.73  1.0
  Si  Si29  1  0.56  0.34  0.73  1.0
  Si  Si30  1  0.59  0.27  0.73  1.0
  Si  Si31  1  0.61  0.39  0.19  1.0
  Si  Si32  1  0.62  0.65  0.73  1.0
  Si  Si33  1  0.63  0.53  0.55  1.0
  Si  Si34  1  0.65  0.62  0.55  1.0
  Si  Si35  1  0.68  0.36  0.91  1.0

Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si
Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si 0 27 o o - 0 21 o o - 0 23 o o o 0 32 o o o 1 3 o + o 1 8 o o o 1 7 o + o 1 14 o o o 1 9 + + o 2 4 o o + 2 9 o + o 3 9 + o o 5 31 o o o 5 22 o o o 6 14 o o o 6 8 o o o 6 12 o o o 6 13 + o o 6 19 o o o 7 14 o - o 7 9 + o o 8 14 o o o 10 24 o o o 10 31 o o o 10 35 o o o 10 29 o o o 10 26 o o o 10 20 o o o 11 17 o - o 11 19 - - o 11 18 - o o 11 13 o - o 12 19 o o o 12 14 o o o 13 19 - o o 15 24 o o o 15 33 o o o 16 18 o o o 17 19 - o o 20 26 o o o 21 27 o o o 23 32 o o o 24 30 o o o 25 31 o o o 28 34 o o o 28 32 o o o 29 35 o o o 32 34 o o o 