data_Pr7Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46
_cell_length_b   23.5
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7Ru3
_chemical_formula_sum   'Pr28 Ru12'
_cell_volume   1178.05
_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  0.12  0.1  0.14  1.0
  Pr  Pr1  1  0.39  0.65  0.22  1.0
  Pr  Pr2  1  0.34  0.85  0.58  1.0
  Pr  Pr3  1  0.06  0.4  0.5  1.0
  Pr  Pr4  1  0.34  0.4  0.58  1.0
  Pr  Pr5  1  0.06  0.85  0.5  1.0
  Pr  Pr6  1  0.12  0.65  0.14  1.0
  Pr  Pr7  1  0.39  0.1  0.22  1.0
  Pr  Pr8  1  0.17  0.54  0.15  1.0
  Pr  Pr9  1  0.45  0.21  0.21  1.0
  Pr  Pr10  1  0.28  0.28  0.57  1.0
  Pr  Pr11  1  0.01  0.96  0.51  1.0
  Pr  Pr12  1  0.28  0.96  0.57  1.0
  Pr  Pr13  1  0.01  0.28  0.51  1.0
  Pr  Pr14  1  0.17  0.21  0.15  1.0
  Pr  Pr15  1  0.45  0.54  0.21  1.0
  Pr  Pr16  1  0.04  0.87  0.8  1.0
  Pr  Pr17  1  0.32  0.87  0.29  1.0
  Pr  Pr18  1  0.41  0.62  0.93  1.0
  Pr  Pr19  1  0.14  0.62  0.43  1.0
  Pr  Pr20  1  0.12  0.71  0.74  1.0
  Pr  Pr21  1  0.39  0.04  0.35  1.0
  Pr  Pr22  1  0.33  0.46  0.98  1.0
  Pr  Pr23  1  0.06  0.79  0.38  1.0
  Pr  Pr24  1  0.33  0.79  0.98  1.0
  Pr  Pr25  1  0.06  0.46  0.38  1.0
  Pr  Pr26  1  0.12  0.04  0.74  1.0
  Pr  Pr27  1  0.39  0.71  0.35  1.0
  Ru  Ru28  1  0.92  0.87  0.15  1.0
  Ru  Ru29  1  0.19  0.87  0.22  1.0
  Ru  Ru30  1  0.54  0.62  0.58  1.0
  Ru  Ru31  1  0.26  0.62  0.51  1.0
  Ru  Ru32  1  0.59  0.25  0.22  1.0
  Ru  Ru33  1  0.86  0.5  0.14  1.0
  Ru  Ru34  1  0.86  1.0  0.51  1.0
  Ru  Ru35  1  0.59  0.25  0.58  1.0
  Ru  Ru36  1  0.86  0.25  0.51  1.0
  Ru  Ru37  1  0.59  1.0  0.58  1.0
  Ru  Ru38  1  0.59  0.5  0.22  1.0
  Ru  Ru39  1  0.86  0.25  0.14  1.0

data_Pr7Ru3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.72
_cell_length_b   7.46
_cell_length_c   23.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr7Ru3
_chemical_formula_sum   'Pr28 Ru12'
_cell_volume   1178.05
_cell_formula_units_Z   4
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  0.02  0.83  0.21  1.0
  Pr  Pr1  2  0.02  0.83  0.54  1.0
  Pr  Pr2  2  0.07  0.91  0.37  1.0
  Pr  Pr3  2  0.14  0.84  0.6  1.0
  Pr  Pr4  2  0.14  0.84  0.15  1.0
  Pr  Pr5  2  0.15  0.78  0.71  1.0
  Pr  Pr6  2  0.15  0.78  0.04  1.0
  Pr  Pr7  2  0.21  0.05  0.04  1.0
  Pr  Pr8  2  0.21  0.05  0.71  1.0
  Pr  Pr9  2  0.22  0.11  0.15  1.0
  Pr  Pr10  2  0.22  0.11  0.6  1.0
  Pr  Pr11  2  0.38  0.89  0.46  1.0
  Pr  Pr12  2  0.38  0.89  0.79  1.0
  Pr  Pr13  2  0.43  0.82  0.63  1.0
  Ru  Ru14  2  0.14  0.64  0.75  1.0
  Ru  Ru15  2  0.14  0.64  0.0  1.0
  Ru  Ru16  2  0.15  0.04  0.37  1.0
  Ru  Ru17  2  0.22  0.31  0.37  1.0
  Ru  Ru18  2  0.22  0.36  0.0  1.0
  Ru  Ru19  2  0.22  0.36  0.75  1.0

Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru