# generated using pymatgen
data_PrScB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63645911
_cell_length_b   9.08153985
_cell_length_c   11.53013567
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrScB6Ru
_chemical_formula_sum   'Pr4 Sc4 B24 Ru4'
_cell_volume   380.77867604
_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  0.00000000  0.32213315  0.41510805  1.0
  Pr  Pr1  1  0.00000000  0.67786685  0.58489195  1.0
  Pr  Pr2  1  0.00000000  0.82213315  0.08489195  1.0
  Pr  Pr3  1  0.00000000  0.17786685  0.91510805  1.0
  Sc  Sc4  1  0.00000000  0.94607974  0.37351157  1.0
  Sc  Sc5  1  0.00000000  0.05392026  0.62648843  1.0
  Sc  Sc6  1  0.00000000  0.44607974  0.12648843  1.0
  Sc  Sc7  1  0.00000000  0.55392026  0.87351157  1.0
  B  B8  1  0.50000000  0.55878541  0.42774323  1.0
  B  B9  1  0.50000000  0.44121459  0.57225677  1.0
  B  B10  1  0.50000000  0.05878541  0.07225677  1.0
  B  B11  1  0.50000000  0.94121459  0.92774323  1.0
  B  B12  1  0.50000000  0.75442937  0.41530368  1.0
  B  B13  1  0.50000000  0.24557063  0.58469632  1.0
  B  B14  1  0.50000000  0.25442937  0.08469632  1.0
  B  B15  1  0.50000000  0.74557063  0.91530368  1.0
  B  B16  1  0.50000000  0.79375974  0.26585358  1.0
  B  B17  1  0.50000000  0.20624026  0.73414642  1.0
  B  B18  1  0.50000000  0.29375974  0.23414642  1.0
  B  B19  1  0.50000000  0.70624026  0.76585358  1.0
  B  B20  1  0.50000000  0.62886094  0.18306324  1.0
  B  B21  1  0.50000000  0.37113906  0.81693676  1.0
  B  B22  1  0.50000000  0.12886094  0.31693676  1.0
  B  B23  1  0.50000000  0.87113906  0.68306324  1.0
  B  B24  1  0.50000000  0.98527474  0.21638584  1.0
  B  B25  1  0.50000000  0.01472526  0.78361416  1.0
  B  B26  1  0.50000000  0.48527474  0.28361416  1.0
  B  B27  1  0.50000000  0.51472526  0.71638584  1.0
  B  B28  1  0.50000000  0.59743407  0.02570725  1.0
  B  B29  1  0.50000000  0.40256593  0.97429275  1.0
  B  B30  1  0.50000000  0.09743407  0.47429275  1.0
  B  B31  1  0.50000000  0.90256593  0.52570725  1.0
  Ru  Ru32  1  0.00000000  0.64226906  0.31641410  1.0
  Ru  Ru33  1  0.00000000  0.35773094  0.68358590  1.0
  Ru  Ru34  1  0.00000000  0.14226906  0.18358590  1.0
  Ru  Ru35  1  0.00000000  0.85773094  0.81641410  1.0