# generated using pymatgen
data_LiScB4Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95822893
_cell_length_b   8.26280416
_cell_length_c   10.00600790
_cell_angle_alpha   88.88302418
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScB4Ru5
_chemical_formula_sum   'Li2 Sc2 B8 Ru10'
_cell_volume   244.53304062
_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
  Li  Li0  1  0.50000000  0.84867694  0.17552001  1.0
  Li  Li1  1  0.50000000  0.15132306  0.82447999  1.0
  Sc  Sc2  1  0.50000000  0.65346849  0.68608446  1.0
  Sc  Sc3  1  0.50000000  0.34653151  0.31391554  1.0
  B  B4  1  0.50000000  0.96299087  0.59083879  1.0
  B  B5  1  0.50000000  0.03700913  0.40916121  1.0
  B  B6  1  0.50000000  0.85498363  0.89942927  1.0
  B  B7  1  0.50000000  0.14501637  0.10057073  1.0
  B  B8  1  0.50000000  0.65292748  0.39498056  1.0
  B  B9  1  0.50000000  0.34707252  0.60501944  1.0
  B  B10  1  0.50000000  0.45866117  0.91015380  1.0
  B  B11  1  0.50000000  0.54133883  0.08984620  1.0
  Ru  Ru12  1  0.00000000  0.65679414  0.94945491  1.0
  Ru  Ru13  1  0.00000000  0.34320586  0.05054509  1.0
  Ru  Ru14  1  0.00000000  0.84220635  0.45793920  1.0
  Ru  Ru15  1  0.00000000  0.15779365  0.54206080  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.38792524  0.76330829  1.0
  Ru  Ru18  1  0.00000000  0.61207476  0.23669171  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.91089484  0.74214782  1.0
  Ru  Ru21  1  0.00000000  0.08910516  0.25785218  1.0