# generated using pymatgen
data_Nb6Si7(NiRu)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14542303
_cell_length_b   8.14542393
_cell_length_c   8.14542308
_cell_angle_alpha   59.99999945
_cell_angle_beta   59.99999579
_cell_angle_gamma   60.00000315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Si7(NiRu)8
_chemical_formula_sum   'Nb6 Si7 Ni8 Ru8'
_cell_volume   382.14306263
_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
  Nb  Nb0  1  0.70434720  0.70434720  0.29565280  1.0
  Nb  Nb1  1  0.29565280  0.70434720  0.29565280  1.0
  Nb  Nb2  1  0.70434720  0.29565280  0.29565280  1.0
  Nb  Nb3  1  0.29565280  0.29565280  0.70434720  1.0
  Nb  Nb4  1  0.70434720  0.29565280  0.70434720  1.0
  Nb  Nb5  1  0.29565280  0.70434720  0.70434720  1.0
  Si  Si6  1  0.00000000  0.00000000  0.00000000  1.0
  Si  Si7  1  0.00000000  0.00000000  0.50000000  1.0
  Si  Si8  1  0.50000000  0.00000000  0.50000000  1.0
  Si  Si9  1  0.00000000  0.50000000  0.50000000  1.0
  Si  Si10  1  0.50000000  0.50000000  0.00000000  1.0
  Si  Si11  1  0.00000000  0.50000000  0.00000000  1.0
  Si  Si12  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni13  1  0.66321432  0.66321432  0.01035804  1.0
  Ni  Ni14  1  0.66321432  0.01035804  0.66321432  1.0
  Ni  Ni15  1  0.01035804  0.66321432  0.66321432  1.0
  Ni  Ni16  1  0.66321432  0.66321432  0.66321432  1.0
  Ni  Ni17  1  0.33678568  0.33678568  0.98964196  1.0
  Ni  Ni18  1  0.33678568  0.98964196  0.33678568  1.0
  Ni  Ni19  1  0.98964196  0.33678568  0.33678568  1.0
  Ni  Ni20  1  0.33678568  0.33678568  0.33678568  1.0
  Ru  Ru21  1  0.87882839  0.87882839  0.36351282  1.0
  Ru  Ru22  1  0.87882839  0.36351282  0.87882839  1.0
  Ru  Ru23  1  0.36351282  0.87882839  0.87882839  1.0
  Ru  Ru24  1  0.87882839  0.87882839  0.87882839  1.0
  Ru  Ru25  1  0.12117161  0.12117161  0.63648718  1.0
  Ru  Ru26  1  0.12117161  0.63648718  0.12117161  1.0
  Ru  Ru27  1  0.63648718  0.12117161  0.12117161  1.0
  Ru  Ru28  1  0.12117161  0.12117161  0.12117161  1.0