# generated using pymatgen
data_Sc8Tc(B8Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49116611
_cell_length_b   8.85971314
_cell_length_c   11.17629371
_cell_angle_alpha   89.93064100
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Tc(B8Ru)3
_chemical_formula_sum   'Sc8 Tc1 B24 Ru3'
_cell_volume   345.69067235
_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  0.00000000  0.81899788  0.08447911  1.0
  Sc  Sc1  1  0.00000000  0.18418151  0.91145604  1.0
  Sc  Sc2  1  0.00000000  0.31926873  0.41753856  1.0
  Sc  Sc3  1  0.00000000  0.67843728  0.58665236  1.0
  Sc  Sc4  1  0.00000000  0.44350085  0.12799156  1.0
  Sc  Sc5  1  0.00000000  0.55570783  0.87204240  1.0
  Sc  Sc6  1  0.00000000  0.94300942  0.37233225  1.0
  Sc  Sc7  1  0.00000000  0.05683524  0.62740125  1.0
  Tc  Tc8  1  0.00000000  0.36182902  0.67966472  1.0
  B  B9  1  0.50000000  0.05356756  0.06481013  1.0
  B  B10  1  0.50000000  0.94647355  0.93495196  1.0
  B  B11  1  0.50000000  0.55345688  0.43445934  1.0
  B  B12  1  0.50000000  0.44726780  0.56475217  1.0
  B  B13  1  0.50000000  0.25143553  0.07883836  1.0
  B  B14  1  0.50000000  0.74858201  0.92130322  1.0
  B  B15  1  0.50000000  0.75099809  0.42105871  1.0
  B  B16  1  0.50000000  0.24822269  0.57887730  1.0
  B  B17  1  0.50000000  0.29309052  0.23604796  1.0
  B  B18  1  0.50000000  0.70683824  0.76480254  1.0
  B  B19  1  0.50000000  0.79344319  0.26402724  1.0
  B  B20  1  0.50000000  0.20592166  0.73598340  1.0
  B  B21  1  0.50000000  0.12956147  0.31739317  1.0
  B  B22  1  0.50000000  0.87018006  0.68302030  1.0
  B  B23  1  0.50000000  0.62987287  0.18262070  1.0
  B  B24  1  0.50000000  0.37046943  0.81729601  1.0
  B  B25  1  0.50000000  0.47969480  0.28735182  1.0
  B  B26  1  0.50000000  0.52143657  0.71260949  1.0
  B  B27  1  0.50000000  0.97962124  0.21230056  1.0
  B  B28  1  0.50000000  0.02021775  0.78754095  1.0
  B  B29  1  0.50000000  0.10105997  0.47166797  1.0
  B  B30  1  0.50000000  0.89743833  0.52798947  1.0
  B  B31  1  0.50000000  0.60225395  0.02830115  1.0
  B  B32  1  0.50000000  0.39839590  0.97249623  1.0
  Ru  Ru33  1  0.00000000  0.13823321  0.17974291  1.0
  Ru  Ru34  1  0.00000000  0.86156158  0.82058410  1.0
  Ru  Ru35  1  0.00000000  0.63893736  0.31961358  1.0