# generated using pymatgen
data_LiSc3(B4Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97938208
_cell_length_b   8.37162030
_cell_length_c   10.00589543
_cell_angle_alpha   88.92705786
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSc3(B4Ru5)2
_chemical_formula_sum   'Li1 Sc3 B8 Ru10'
_cell_volume   249.52584232
_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
  Li  Li0  1  0.50000000  0.85640471  0.19735338  1.0
  Sc  Sc1  1  0.50000000  0.15112506  0.82860228  1.0
  Sc  Sc2  1  0.50000000  0.65552761  0.67755470  1.0
  Sc  Sc3  1  0.50000000  0.35066937  0.31007684  1.0
  B  B4  1  0.50000000  0.96337614  0.59130203  1.0
  B  B5  1  0.50000000  0.03705524  0.41064518  1.0
  B  B6  1  0.50000000  0.84730708  0.90345810  1.0
  B  B7  1  0.50000000  0.13736703  0.10382764  1.0
  B  B8  1  0.50000000  0.65532548  0.38964386  1.0
  B  B9  1  0.50000000  0.35139731  0.59753455  1.0
  B  B10  1  0.50000000  0.45973496  0.90886818  1.0
  B  B11  1  0.50000000  0.54149664  0.08693781  1.0
  Ru  Ru12  1  0.00000000  0.65135475  0.94592117  1.0
  Ru  Ru13  1  0.00000000  0.33852667  0.04634197  1.0
  Ru  Ru14  1  0.00000000  0.84330053  0.45727906  1.0
  Ru  Ru15  1  0.00000000  0.15851869  0.54715743  1.0
  Ru  Ru16  1  0.00000000  0.98817991  0.00703686  1.0
  Ru  Ru17  1  0.00000000  0.39923051  0.75848954  1.0
  Ru  Ru18  1  0.00000000  0.61254757  0.23237004  1.0
  Ru  Ru19  1  0.00000000  0.50190420  0.49564886  1.0
  Ru  Ru20  1  0.00000000  0.90147591  0.74136617  1.0
  Ru  Ru21  1  0.00000000  0.09817264  0.26258434  1.0