# generated using pymatgen
data_Sc8NbRu9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81400553
_cell_length_b   7.81400584
_cell_length_c   5.55455519
_cell_angle_alpha   89.99996810
_cell_angle_beta   89.99995977
_cell_angle_gamma   120.00106031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8NbRu9
_chemical_formula_sum   'Sc8 Nb1 Ru9'
_cell_volume   293.71269853
_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  0.66663820  0.00168715  0.22654599  1.0
  Sc  Sc1  1  0.33168524  0.33168424  0.22653840  1.0
  Sc  Sc2  1  0.00168715  0.66663920  0.22654599  1.0
  Sc  Sc3  1  0.66666518  0.33162854  0.55771308  1.0
  Sc  Sc4  1  0.33162954  0.66666618  0.55771308  1.0
  Sc  Sc5  1  0.00169703  0.00169703  0.55754748  1.0
  Sc  Sc6  1  0.33330033  0.99999658  0.89212641  1.0
  Sc  Sc7  1  0.99999658  0.33329933  0.89212641  1.0
  Nb  Nb8  1  0.66669815  0.66669815  0.89208974  1.0
  Ru  Ru9  1  0.66665511  0.34157633  0.05546175  1.0
  Ru  Ru10  1  0.34157733  0.66665611  0.05546175  1.0
  Ru  Ru11  1  0.99177176  0.99177176  0.05536299  1.0
  Ru  Ru12  1  0.33335846  0.99999798  0.39211316  1.0
  Ru  Ru13  1  0.99999798  0.33335746  0.39211316  1.0
  Ru  Ru14  1  0.66666100  0.66666100  0.39209036  1.0
  Ru  Ru15  1  0.66665753  0.99174334  0.72876326  1.0
  Ru  Ru16  1  0.34158308  0.34158308  0.72876673  1.0
  Ru  Ru17  1  0.99174334  0.66665753  0.72876326  1.0