# generated using pymatgen
data_Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41477105
_cell_length_b   5.41477105
_cell_length_c   46.78407339
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ru
_chemical_formula_sum   Ru36
_cell_volume   1187.92455815
_cell_formula_units_Z   36
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  0.171619  0.836635  0.309205  1
  Ru  Ru2  1  0.171619  0.336635  0.309205  1
  Ru  Ru3  1  0.671619  0.336635  0.309205  1
  Ru  Ru4  1  0.671619  0.836635  0.309205  1
  Ru  Ru5  1  0.504953  0.503302  0.356323  1
  Ru  Ru6  1  0.504953  1.003302  0.356323  1
  Ru  Ru7  1  1.004953  1.003302  0.356323  1
  Ru  Ru8  1  1.004953  0.503302  0.356323  1
  Ru  Ru9  1  0.838286  0.169969  0.404001  1
  Ru  Ru10  1  0.838286  0.669969  0.404001  1
  Ru  Ru11  1  0.338286  0.669969  0.404001  1
  Ru  Ru12  1  0.338286  0.169969  0.404001  1
  Ru  Ru13  1  0.171619  0.836635  0.451703  1
  Ru  Ru14  1  0.171619  0.336635  0.451703  1
  Ru  Ru15  1  0.671619  0.336635  0.451703  1
  Ru  Ru16  1  0.671619  0.836635  0.451703  1
  Ru  Ru17  1  0.504953  0.503302  0.499407  1
  Ru  Ru18  1  0.504953  1.003302  0.499407  1
  Ru  Ru19  1  1.004953  1.003302  0.499407  1
  Ru  Ru20  1  1.004953  0.503302  0.499407  1
  Ru  Ru21  1  0.838286  0.169969  0.547110  1
  Ru  Ru22  1  0.838286  0.669969  0.547110  1
  Ru  Ru23  1  0.338286  0.669969  0.547110  1
  Ru  Ru24  1  0.338286  0.169969  0.547110  1
  Ru  Ru25  1  0.171619  0.836635  0.594812  1
  Ru  Ru26  1  0.171619  0.336635  0.594812  1
  Ru  Ru27  1  0.671619  0.336635  0.594812  1
  Ru  Ru28  1  0.671619  0.836635  0.594812  1
  Ru  Ru29  1  0.504953  0.503302  0.642490  1
  Ru  Ru30  1  0.504953  1.003302  0.642490  1
  Ru  Ru31  1  1.004953  1.003302  0.642490  1
  Ru  Ru32  1  1.004953  0.503302  0.642490  1
  Ru  Ru33  1  0.838286  0.169969  0.689608  1
  Ru  Ru34  1  0.838286  0.669969  0.689608  1
  Ru  Ru35  1  0.338286  0.669969  0.689608  1
  Ru  Ru36  1  0.338286  0.169969  0.689608  1
