# generated using pymatgen
data_Sc4TcB12Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49616711
_cell_length_b   8.87005456
_cell_length_c   11.18081818
_cell_angle_alpha   89.85984027
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4TcB12Ru
_chemical_formula_sum   'Sc8 Tc2 B24 Ru2'
_cell_volume   346.72947292
_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
  Sc  Sc0  1  0.00000000  0.81767823  0.08734592  1.0
  Sc  Sc1  1  0.00000000  0.18232177  0.91265408  1.0
  Sc  Sc2  1  0.00000000  0.32354277  0.41614926  1.0
  Sc  Sc3  1  0.00000000  0.67645723  0.58385074  1.0
  Sc  Sc4  1  0.00000000  0.44388790  0.12893775  1.0
  Sc  Sc5  1  0.00000000  0.55611210  0.87106225  1.0
  Sc  Sc6  1  0.00000000  0.94266103  0.37141581  1.0
  Sc  Sc7  1  0.00000000  0.05733897  0.62858419  1.0
  Tc  Tc8  1  0.00000000  0.63870439  0.31966383  1.0
  Tc  Tc9  1  0.00000000  0.36129561  0.68033617  1.0
  B  B10  1  0.50000000  0.05359237  0.06499432  1.0
  B  B11  1  0.50000000  0.94640763  0.93500568  1.0
  B  B12  1  0.50000000  0.55292029  0.43473574  1.0
  B  B13  1  0.50000000  0.44707971  0.56526426  1.0
  B  B14  1  0.50000000  0.25194626  0.07917153  1.0
  B  B15  1  0.50000000  0.74805374  0.92082847  1.0
  B  B16  1  0.50000000  0.75212841  0.42097321  1.0
  B  B17  1  0.50000000  0.24787159  0.57902679  1.0
  B  B18  1  0.50000000  0.29341401  0.23580966  1.0
  B  B19  1  0.50000000  0.70658599  0.76419034  1.0
  B  B20  1  0.50000000  0.79457300  0.26354203  1.0
  B  B21  1  0.50000000  0.20542700  0.73645797  1.0
  B  B22  1  0.50000000  0.12984173  0.31696446  1.0
  B  B23  1  0.50000000  0.87015827  0.68303554  1.0
  B  B24  1  0.50000000  0.63007094  0.18238643  1.0
  B  B25  1  0.50000000  0.36992906  0.81761357  1.0
  B  B26  1  0.50000000  0.47901151  0.28738616  1.0
  B  B27  1  0.50000000  0.52098849  0.71261384  1.0
  B  B28  1  0.50000000  0.98003368  0.21206830  1.0
  B  B29  1  0.50000000  0.01996632  0.78793170  1.0
  B  B30  1  0.50000000  0.10008125  0.47225569  1.0
  B  B31  1  0.50000000  0.89991875  0.52774431  1.0
  B  B32  1  0.50000000  0.60039052  0.02743214  1.0
  B  B33  1  0.50000000  0.39960948  0.97256786  1.0
  Ru  Ru34  1  0.00000000  0.13861009  0.17911195  1.0
  Ru  Ru35  1  0.00000000  0.86138991  0.82088805  1.0