# generated using pymatgen
data_Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68509589
_cell_length_b   5.06288234
_cell_length_c   46.45912991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.51798840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru
_chemical_formula_sum   Ru32
_cell_volume   977.339177605
_cell_formula_units_Z   32
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
  Ru  Ru1  1  0.329873  0.325683  0.285051  1
  Ru  Ru2  1  0.219121  0.778303  0.298215  1
  Ru  Ru3  1  0.784377  0.231507  0.311591  1
  Ru  Ru4  1  0.677566  0.689883  0.325921  1
  Ru  Ru5  1  0.240197  0.144022  0.339883  1
  Ru  Ru6  1  0.131563  0.597138  0.353762  1
  Ru  Ru7  1  0.692852  0.052283  0.367709  1
  Ru  Ru8  1  0.586533  0.506337  0.381769  1
  Ru  Ru9  1  0.147425  0.961389  0.395470  1
  Ru  Ru10  1  0.041443  0.416179  0.409402  1
  Ru  Ru11  1  0.602198  0.871094  0.423285  1
  Ru  Ru12  1  0.496068  0.325601  0.437209  1
  Ru  Ru13  1  0.056904  0.780520  0.451048  1
  Ru  Ru14  1  0.950915  0.235270  0.464953  1
  Ru  Ru15  1  0.511655  0.690084  0.478827  1
  Ru  Ru16  1  0.405648  0.144786  0.492731  1
  Ru  Ru17  1  0.966418  0.599636  0.506591  1
  Ru  Ru18  1  0.860410  0.054339  0.520494  1
  Ru  Ru19  1  0.421151  0.509153  0.534369  1
  Ru  Ru20  1  0.315162  0.963902  0.548273  1
  Ru  Ru21  1  0.875998  0.418821  0.562113  1
  Ru  Ru22  1  0.769867  0.873329  0.576037  1
  Ru  Ru23  1  0.330623  0.328243  0.589920  1
  Ru  Ru24  1  0.224640  0.783034  0.603852  1
  Ru  Ru25  1  0.785533  0.238085  0.617553  1
  Ru  Ru26  1  0.679214  0.692140  0.631613  1
  Ru  Ru27  1  0.240503  0.147285  0.645560  1
  Ru  Ru28  1  0.131868  0.600401  0.659438  1
  Ru  Ru29  1  0.694499  0.054539  0.673401  1
  Ru  Ru30  1  0.587688  0.512915  0.687731  1
  Ru  Ru31  1  0.152945  0.966119  0.701107  1
  Ru  Ru32  1  0.042193  0.418740  0.714270  1
