# generated using pymatgen
data_ZrNb(SiRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75457400
_cell_length_b   6.61386700
_cell_length_c   11.30133139
_cell_angle_alpha   89.61783878
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb(SiRu)2
_chemical_formula_sum   'Zr3 Nb3 Si6 Ru6'
_cell_volume   280.63127861
_cell_formula_units_Z   3
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  0.50000000  0.28969100  0.29126800  1.0
  Zr  Zr1  1  0.50000000  0.29086800  0.70916700  1.0
  Zr  Zr2  1  0.50000000  0.78991500  0.20860000  1.0
  Nb  Nb3  1  0.50000000  0.42092600  0.99946600  1.0
  Nb  Nb4  1  0.50000000  0.91735900  0.50092800  1.0
  Nb  Nb5  1  0.50000000  0.79084500  0.79158600  1.0
  Si  Si6  1  0.00000000  0.99260900  0.66647400  1.0
  Si  Si7  1  0.00000000  0.49841700  0.16258600  1.0
  Si  Si8  1  0.00000000  0.50341900  0.83566900  1.0
  Si  Si9  1  0.00000000  0.99756500  0.33735500  1.0
  Si  Si10  1  0.50000000  0.00416200  0.99674200  1.0
  Si  Si11  1  0.50000000  0.50654200  0.50009000  1.0
  Ru  Ru12  1  0.00000000  0.75448500  0.99818700  1.0
  Ru  Ru13  1  0.00000000  0.25409100  0.50130800  1.0
  Ru  Ru14  1  0.00000000  0.62301000  0.62305500  1.0
  Ru  Ru15  1  0.00000000  0.12253600  0.12178400  1.0
  Ru  Ru16  1  0.00000000  0.12155200  0.87723100  1.0
  Ru  Ru17  1  0.00000000  0.62220600  0.37850500  1.0