# generated using pymatgen
data_Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28202455
_cell_length_b   9.74658510
_cell_length_c   46.81899467
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru
_chemical_formula_sum   Ru66
_cell_volume   1953.99620469
_cell_formula_units_Z   66
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  0.750663  0.177604  0.275972  1
  Ru  Ru2  1  0.750663  0.710600  0.302500  1
  Ru  Ru3  1  0.750663  0.442161  0.288707  1
  Ru  Ru4  1  0.250663  0.135044  0.307031  1
  Ru  Ru5  1  0.250663  0.866885  0.293140  1
  Ru  Ru6  1  0.250663  0.598427  0.279828  1
  Ru  Ru7  1  0.750663  0.980315  0.316320  1
  Ru  Ru8  1  0.750663  0.519132  0.344397  1
  Ru  Ru9  1  0.750663  0.249656  0.330762  1
  Ru  Ru10  1  0.250663  0.942042  0.349028  1
  Ru  Ru11  1  0.250663  0.673310  0.334973  1
  Ru  Ru12  1  0.250663  0.403913  0.320821  1
  Ru  Ru13  1  0.750663  0.788623  0.358248  1
  Ru  Ru14  1  0.750663  0.327257  0.386148  1
  Ru  Ru15  1  0.750663  0.057899  0.372310  1
  Ru  Ru16  1  0.250663  0.750217  0.390673  1
  Ru  Ru17  1  0.250663  0.481280  0.376918  1
  Ru  Ru18  1  0.250663  0.211740  0.363015  1
  Ru  Ru19  1  0.750663  0.596464  0.399970  1
  Ru  Ru20  1  0.750663  0.134833  0.427793  1
  Ru  Ru21  1  0.750663  0.865505  0.413866  1
  Ru  Ru22  1  0.250663  0.558023  0.432397  1
  Ru  Ru23  1  0.250663  0.288741  0.418527  1
  Ru  Ru24  1  0.250663  0.019409  0.404618  1
  Ru  Ru25  1  0.750663  0.404130  0.441666  1
  Ru  Ru26  1  0.750663  0.942499  0.469414  1
  Ru  Ru27  1  0.750663  0.673307  0.455531  1
  Ru  Ru28  1  0.250663  0.365667  0.474049  1
  Ru  Ru29  1  0.250663  0.096392  0.460158  1
  Ru  Ru30  1  0.250663  0.827165  0.446255  1
  Ru  Ru31  1  0.750663  0.211775  0.483310  1
  Ru  Ru32  1  0.750663  0.750214  0.511071  1
  Ru  Ru33  1  0.750663  0.481022  0.497197  1
  Ru  Ru34  1  0.250663  0.173334  0.515688  1
  Ru  Ru35  1  0.250663  0.904087  0.501801  1
  Ru  Ru36  1  0.250663  0.634895  0.487927  1
  Ru  Ru37  1  0.750663  0.019442  0.524948  1
  Ru  Ru38  1  0.750663  0.557944  0.552743  1
  Ru  Ru39  1  0.750663  0.288717  0.538839  1
  Ru  Ru40  1  0.250663  0.980979  0.557332  1
  Ru  Ru41  1  0.250663  0.711802  0.543467  1
  Ru  Ru42  1  0.250663  0.442609  0.529583  1
  Ru  Ru43  1  0.750663  0.827086  0.566600  1
  Ru  Ru44  1  0.750663  0.365700  0.594380  1
  Ru  Ru45  1  0.750663  0.096368  0.580471  1
  Ru  Ru46  1  0.250663  0.788645  0.599028  1
  Ru  Ru47  1  0.250663  0.519604  0.585132  1
  Ru  Ru48  1  0.250663  0.250276  0.571204  1
  Ru  Ru49  1  0.750663  0.634892  0.608325  1
  Ru  Ru50  1  0.750663  0.173369  0.635982  1
  Ru  Ru51  1  0.750663  0.903829  0.622080  1
  Ru  Ru52  1  0.250663  0.596486  0.640749  1
  Ru  Ru53  1  0.250663  0.327210  0.626688  1
  Ru  Ru54  1  0.250663  0.057852  0.612849  1
  Ru  Ru55  1  0.750663  0.443067  0.649970  1
  Ru  Ru56  1  0.750663  0.981195  0.678177  1
  Ru  Ru57  1  0.750663  0.711799  0.664025  1
  Ru  Ru58  1  0.250663  0.404794  0.682678  1
  Ru  Ru59  1  0.250663  0.135453  0.668236  1
  Ru  Ru60  1  0.250663  0.865977  0.654600  1
  Ru  Ru61  1  0.750663  0.250065  0.691966  1
  Ru  Ru62  1  0.750663  0.786682  0.719169  1
  Ru  Ru63  1  0.750663  0.518223  0.705857  1
  Ru  Ru64  1  0.250663  0.207505  0.723025  1
  Ru  Ru65  1  0.250663  0.942948  0.710290  1
  Ru  Ru66  1  0.250663  0.674509  0.696498  1
