# generated using pymatgen
data_ZrNb2(AlRu2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38418346
_cell_length_b   6.19642143
_cell_length_c   13.16672276
_cell_angle_alpha   89.99993943
_cell_angle_beta   90.00003349
_cell_angle_gamma   89.99958570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNb2(AlRu2)3
_chemical_formula_sum   'Zr2 Nb4 Al6 Ru12'
_cell_volume   357.69046010
_cell_formula_units_Z   2
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  0.00006058  0.99999771  0.66627920  1.0
  Zr  Zr1  1  0.50005983  0.50000144  0.83384302  1.0
  Nb  Nb2  1  0.99999284  0.99999534  0.00052221  1.0
  Nb  Nb3  1  0.49991949  0.50000531  0.16684516  1.0
  Nb  Nb4  1  0.99994930  0.00000137  0.33306649  1.0
  Nb  Nb5  1  0.49999482  0.49999879  0.49946219  1.0
  Al  Al6  1  0.99999356  0.49999644  0.00153618  1.0
  Al  Al7  1  0.49996120  0.00000034  0.16758846  1.0
  Al  Al8  1  0.99996707  0.50000357  0.33235558  1.0
  Al  Al9  1  0.49999932  0.99999978  0.49846819  1.0
  Al  Al10  1  0.00006806  0.50000018  0.66581486  1.0
  Al  Al11  1  0.50007096  0.99999997  0.83422359  1.0
  Ru  Ru12  1  0.50002439  0.24722946  0.00449268  1.0
  Ru  Ru13  1  0.49995898  0.75276958  0.00449403  1.0
  Ru  Ru14  1  0.99993015  0.25030884  0.16779370  1.0
  Ru  Ru15  1  0.99995823  0.74969195  0.16779329  1.0
  Ru  Ru16  1  0.49996480  0.24969148  0.33211469  1.0
  Ru  Ru17  1  0.49993113  0.75030618  0.33211354  1.0
  Ru  Ru18  1  0.99996273  0.25271364  0.49547279  1.0
  Ru  Ru19  1  0.00002552  0.74728553  0.49547090  1.0
  Ru  Ru20  1  0.50011223  0.25335369  0.66319205  1.0
  Ru  Ru21  1  0.49999405  0.74664789  0.66319363  1.0
  Ru  Ru22  1  0.99999293  0.24667618  0.83693306  1.0
  Ru  Ru23  1  0.00011083  0.75332036  0.83693451  1.0