# generated using pymatgen
data_Nb6TcMo3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52721287
_cell_length_b   6.40684108
_cell_length_c   13.57700261
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99999009
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6TcMo3Ru2
_chemical_formula_sum   'Nb12 Tc2 Mo6 Ru4'
_cell_volume   393.80277124
_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
  Nb  Nb0  1  0.49999990  0.24926863  0.99924298  1.0
  Nb  Nb1  1  0.49999990  0.75073137  0.99924298  1.0
  Nb  Nb2  1  0.00000186  0.24992509  0.16666167  1.0
  Nb  Nb3  1  0.00000186  0.75007491  0.16666167  1.0
  Nb  Nb4  1  0.50000314  0.25007591  0.33333733  1.0
  Nb  Nb5  1  0.50000314  0.74992409  0.33333733  1.0
  Nb  Nb6  1  0.00000010  0.25073037  0.50075702  1.0
  Nb  Nb7  1  0.00000010  0.74926963  0.50075702  1.0
  Nb  Nb8  1  0.49999787  0.25081971  0.66720109  1.0
  Nb  Nb9  1  0.49999787  0.74918029  0.66720109  1.0
  Nb  Nb10  1  0.99999813  0.24918129  0.83279991  1.0
  Nb  Nb11  1  0.99999813  0.75081871  0.83279991  1.0
  Tc  Tc12  1  0.99999795  0.49999900  0.66609742  1.0
  Tc  Tc13  1  0.49999805  0.00000000  0.83390158  1.0
  Mo  Mo14  1  0.00000019  0.00000000  0.00152729  1.0
  Mo  Mo15  1  0.50000251  0.49999900  0.16692547  1.0
  Mo  Mo16  1  0.00000249  0.00000000  0.33307453  1.0
  Mo  Mo17  1  0.49999981  0.49999900  0.49847271  1.0
  Mo  Mo18  1  0.99999672  0.00000000  0.66543501  1.0
  Mo  Mo19  1  0.49999628  0.49999900  0.83456499  1.0
  Ru  Ru20  1  0.00000005  0.49999900  0.00128688  1.0
  Ru  Ru21  1  0.50000268  0.00000000  0.16725187  1.0
  Ru  Ru22  1  0.00000232  0.49999900  0.33274913  1.0
  Ru  Ru23  1  0.49999995  0.00000000  0.49871312  1.0