# generated using pymatgen
data_Sc3Nb3(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50446855
_cell_length_b   9.50446855
_cell_length_c   3.06619700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.02550770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Nb3(B2Ru5)2
_chemical_formula_sum   'Sc3 Nb3 B4 Ru10'
_cell_volume   276.98464093
_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  0.17570300  0.82429700  0.00000000  1.0
  Sc  Sc1  1  0.32463000  0.32536700  0.00000000  1.0
  Sc  Sc2  1  0.67463300  0.67537000  0.00000000  1.0
  Nb  Nb3  1  0.49762500  0.99965200  0.00000000  1.0
  Nb  Nb4  1  0.00034800  0.50237500  0.00000000  1.0
  Nb  Nb5  1  0.82503400  0.17496600  0.00000000  1.0
  B  B6  1  0.61990700  0.38009300  0.00000000  1.0
  B  B7  1  0.37875500  0.62124500  0.00000000  1.0
  B  B8  1  0.12175100  0.12158800  0.00000000  1.0
  B  B9  1  0.87841200  0.87824900  0.00000000  1.0
  Ru  Ru10  1  0.50144800  0.49855200  0.50000000  1.0
  Ru  Ru11  1  0.99670800  0.00329200  0.50000000  1.0
  Ru  Ru12  1  0.57888100  0.21526100  0.50000000  1.0
  Ru  Ru13  1  0.43024800  0.78139700  0.50000000  1.0
  Ru  Ru14  1  0.06410500  0.28096100  0.50000000  1.0
  Ru  Ru15  1  0.92816200  0.71873100  0.50000000  1.0
  Ru  Ru16  1  0.28126900  0.07183800  0.50000000  1.0
  Ru  Ru17  1  0.71903900  0.93589500  0.50000000  1.0
  Ru  Ru18  1  0.21860300  0.56975200  0.50000000  1.0
  Ru  Ru19  1  0.78473900  0.42111900  0.50000000  1.0