# generated using pymatgen
data_Sc2Tc2B4Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02057310
_cell_length_b   8.50631369
_cell_length_c   9.97218766
_cell_angle_alpha   89.99907782
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Tc2B4Ru3
_chemical_formula_sum   'Sc4 Tc4 B8 Ru6'
_cell_volume   256.22481439
_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  0.50000000  0.84234561  0.18203149  1.0
  Sc  Sc1  1  0.50000000  0.15765439  0.81796851  1.0
  Sc  Sc2  1  0.50000000  0.65769362  0.68199921  1.0
  Sc  Sc3  1  0.50000000  0.34230638  0.31800079  1.0
  Tc  Tc4  1  0.00000000  0.65915632  0.95324504  1.0
  Tc  Tc5  1  0.00000000  0.34084368  0.04675496  1.0
  Tc  Tc6  1  0.00000000  0.84084678  0.45325884  1.0
  Tc  Tc7  1  0.00000000  0.15915322  0.54674116  1.0
  B  B8  1  0.50000000  0.96500319  0.58827005  1.0
  B  B9  1  0.50000000  0.03499681  0.41172995  1.0
  B  B10  1  0.50000000  0.84879237  0.90082931  1.0
  B  B11  1  0.50000000  0.15120763  0.09917069  1.0
  B  B12  1  0.50000000  0.65122367  0.40083829  1.0
  B  B13  1  0.50000000  0.34877633  0.59916171  1.0
  B  B14  1  0.50000000  0.46498910  0.91172769  1.0
  B  B15  1  0.50000000  0.53501090  0.08827231  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40378276  0.76038929  1.0
  Ru  Ru18  1  0.00000000  0.59621724  0.23961071  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.90379619  0.73961713  1.0
  Ru  Ru21  1  0.00000000  0.09620381  0.26038287  1.0