# generated using pymatgen
data_Zr2Si4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85872974
_cell_length_b   9.85872974
_cell_length_c   13.31040223
_cell_angle_alpha   53.90195877
_cell_angle_beta   53.90195877
_cell_angle_gamma   31.50677337
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Si4Ru3
_chemical_formula_sum   'Zr8 Si16 Ru12'
_cell_volume   534.60310709
_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
  Zr  Zr0  1  0.03992962  0.29315043  0.63725085  1.0
  Zr  Zr1  1  0.70684957  0.96007038  0.86274915  1.0
  Zr  Zr2  1  0.96007038  0.70684957  0.36274915  1.0
  Zr  Zr3  1  0.29315043  0.03992962  0.13725085  1.0
  Zr  Zr4  1  0.29963965  0.55322750  0.64845682  1.0
  Zr  Zr5  1  0.44677250  0.70036035  0.85154318  1.0
  Zr  Zr6  1  0.70036035  0.44677250  0.35154318  1.0
  Zr  Zr7  1  0.55322750  0.29963965  0.14845682  1.0
  Si  Si8  1  0.97311599  0.25317224  0.89490459  1.0
  Si  Si9  1  0.74682776  0.02688401  0.60509541  1.0
  Si  Si10  1  0.02688401  0.74682776  0.10509541  1.0
  Si  Si11  1  0.25317224  0.97311599  0.39490459  1.0
  Si  Si12  1  0.14115847  0.38775537  0.89600964  1.0
  Si  Si13  1  0.61224463  0.85884153  0.60399036  1.0
  Si  Si14  1  0.85884153  0.61224463  0.10399036  1.0
  Si  Si15  1  0.38775537  0.14115847  0.39600964  1.0
  Si  Si16  1  0.08529924  0.57435859  0.56508336  1.0
  Si  Si17  1  0.42564141  0.91470076  0.93491664  1.0
  Si  Si18  1  0.91470076  0.42564141  0.43491664  1.0
  Si  Si19  1  0.57435859  0.08529924  0.06508336  1.0
  Si  Si20  1  0.62023011  0.37976989  0.75000000  1.0
  Si  Si21  1  0.37976989  0.62023011  0.25000000  1.0
  Si  Si22  1  0.13002471  0.86997529  0.75000000  1.0
  Si  Si23  1  0.86997529  0.13002471  0.25000000  1.0
  Ru  Ru24  1  0.91166152  0.13094636  0.58502833  1.0
  Ru  Ru25  1  0.86905364  0.08833848  0.91497167  1.0
  Ru  Ru26  1  0.08833848  0.86905364  0.41497167  1.0
  Ru  Ru27  1  0.13094636  0.91166152  0.08502833  1.0
  Ru  Ru28  1  0.82752887  0.64815365  0.77957314  1.0
  Ru  Ru29  1  0.35184635  0.17247113  0.72042686  1.0
  Ru  Ru30  1  0.17247113  0.35184635  0.22042686  1.0
  Ru  Ru31  1  0.64815365  0.82752887  0.27957314  1.0
  Ru  Ru32  1  0.23632994  0.51602406  0.93434425  1.0
  Ru  Ru33  1  0.48397594  0.76367006  0.56565575  1.0
  Ru  Ru34  1  0.76367006  0.48397594  0.06565575  1.0
  Ru  Ru35  1  0.51602406  0.23632994  0.43434425  1.0