# generated using pymatgen
data_ScNb5(GaRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37398460
_cell_length_b   6.17904811
_cell_length_c   13.11142493
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00066684
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb5(GaRu2)6
_chemical_formula_sum   'Sc1 Nb5 Ga6 Ru12'
_cell_volume   354.36328511
_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  0.50013850  0.49999900  0.83336268  1.0
  Nb  Nb1  1  0.00000041  0.00000000  0.99839829  1.0
  Nb  Nb2  1  0.49988205  0.49999900  0.16549086  1.0
  Nb  Nb3  1  0.99983718  0.00000000  0.33334297  1.0
  Nb  Nb4  1  0.50000311  0.49999900  0.50124372  1.0
  Nb  Nb5  1  0.00013470  0.00000000  0.66817346  1.0
  Ga  Ga6  1  0.00000538  0.49999900  0.99789587  1.0
  Ga  Ga7  1  0.49986082  0.00000000  0.16700119  1.0
  Ga  Ga8  1  0.99982247  0.49999900  0.33325133  1.0
  Ga  Ga9  1  0.50000025  0.00000000  0.49970705  1.0
  Ga  Ga10  1  0.00015659  0.49999900  0.66881270  1.0
  Ga  Ga11  1  0.50016881  0.00000000  0.83329879  1.0
  Ru  Ru12  1  0.49999695  0.24730688  0.00327880  1.0
  Ru  Ru13  1  0.49999695  0.75269412  0.00327880  1.0
  Ru  Ru14  1  0.99986996  0.25065001  0.16767822  1.0
  Ru  Ru15  1  0.99986996  0.74934899  0.16767822  1.0
  Ru  Ru16  1  0.49985131  0.24958798  0.33334007  1.0
  Ru  Ru17  1  0.49985131  0.75041302  0.33334007  1.0
  Ru  Ru18  1  0.00000392  0.25070583  0.49897223  1.0
  Ru  Ru19  1  0.00000392  0.74929317  0.49897223  1.0
  Ru  Ru20  1  0.50013894  0.24732246  0.66340800  1.0
  Ru  Ru21  1  0.50013894  0.75267854  0.66340800  1.0
  Ru  Ru22  1  0.00013377  0.24374566  0.83333372  1.0
  Ru  Ru23  1  0.00013377  0.75625334  0.83333372  1.0