# generated using pymatgen
data_ScNb5(AlRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37121804
_cell_length_b   6.16632870
_cell_length_c   13.10741115
_cell_angle_alpha   89.99999528
_cell_angle_beta   90.00100233
_cell_angle_gamma   89.99997371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb5(AlRu2)6
_chemical_formula_sum   'Sc1 Nb5 Al6 Ru12'
_cell_volume   353.30197383
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.99999913  0.50001302  0.00001100  1.0
  Nb  Nb1  1  0.49991614  0.99999826  0.16508945  1.0
  Nb  Nb2  1  0.99991815  0.50000307  0.33234464  1.0
  Nb  Nb3  1  0.50000274  0.99999509  0.50000933  1.0
  Nb  Nb4  1  0.00008050  0.50000123  0.66765994  1.0
  Nb  Nb5  1  0.50007942  0.99999609  0.83490019  1.0
  Al  Al6  1  0.99999932  0.00000007  0.99999724  1.0
  Al  Al7  1  0.49994885  0.50000166  0.16557770  1.0
  Al  Al8  1  0.99990883  0.99999886  0.33336497  1.0
  Al  Al9  1  0.50000607  0.50000065  0.49999677  1.0
  Al  Al10  1  0.00008753  0.99999827  0.66662927  1.0
  Al  Al11  1  0.50005233  0.50000009  0.83442057  1.0
  Ru  Ru12  1  0.49999932  0.24467211  0.99998974  1.0
  Ru  Ru13  1  0.50000181  0.75532863  0.99998985  1.0
  Ru  Ru14  1  0.99992056  0.24733564  0.16989522  1.0
  Ru  Ru15  1  0.99992169  0.75266458  0.16989518  1.0
  Ru  Ru16  1  0.49992581  0.25022589  0.33447708  1.0
  Ru  Ru17  1  0.49992766  0.74977446  0.33447682  1.0
  Ru  Ru18  1  0.00000442  0.24981784  0.50001381  1.0
  Ru  Ru19  1  0.00000562  0.75018120  0.50001372  1.0
  Ru  Ru20  1  0.50007093  0.25022179  0.66553003  1.0
  Ru  Ru21  1  0.50007185  0.74977581  0.66552999  1.0
  Ru  Ru22  1  0.00007481  0.24734230  0.83009210  1.0
  Ru  Ru23  1  0.00007751  0.75265641  0.83009141  1.0