# generated using pymatgen
data_Th4B16IrRu15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27414579
_cell_length_b   7.54427155
_cell_length_c   7.55028742
_cell_angle_alpha   89.96456864
_cell_angle_beta   113.93985300
_cell_angle_gamma   114.05127717
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4B16IrRu15
_chemical_formula_sum   'Th4 B16 Ir1 Ru15'
_cell_volume   432.22841205
_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
  Th  Th0  1  0.74981761  0.87504923  0.12506364  1.0
  Th  Th1  1  0.25186717  0.62538523  0.37593190  1.0
  Th  Th2  1  0.74811174  0.37386653  0.62152287  1.0
  Th  Th3  1  0.24886906  0.12456509  0.87488166  1.0
  B  B4  1  0.91500089  0.28647017  0.06168105  1.0
  B  B5  1  0.41424277  0.56026522  0.12404025  1.0
  B  B6  1  0.08663501  0.20912631  0.14619274  1.0
  B  B7  1  0.58452213  0.14507962  0.20852534  1.0
  B  B8  1  0.41364807  0.05864221  0.29034304  1.0
  B  B9  1  0.91563808  0.62510527  0.35955952  1.0
  B  B10  1  0.58461798  0.64543378  0.37517464  1.0
  B  B11  1  0.08720802  0.87835789  0.44403874  1.0
  B  B12  1  0.91484437  0.12460410  0.56007093  1.0
  B  B13  1  0.41437226  0.35478996  0.62295625  1.0
  B  B14  1  0.08557395  0.37575949  0.64619360  1.0
  B  B15  1  0.58491427  0.93982043  0.70884558  1.0
  B  B16  1  0.41485123  0.85476869  0.79072286  1.0
  B  B17  1  0.91420658  0.79168838  0.85329164  1.0
  B  B18  1  0.58198508  0.43787051  0.87493944  1.0
  B  B19  1  0.08649436  0.71068789  0.93854889  1.0
  Ir  Ir20  1  0.87427822  0.55080990  0.04003902  1.0
  Ru  Ru21  1  0.37266336  0.83133406  0.04994237  1.0
  Ru  Ru22  1  0.12665791  0.94830357  0.16938100  1.0
  Ru  Ru23  1  0.62870782  0.45996204  0.17752598  1.0
  Ru  Ru24  1  0.37270917  0.33016631  0.32140820  1.0
  Ru  Ru25  1  0.87218116  0.32285863  0.33124800  1.0
  Ru  Ru26  1  0.62812744  0.95933972  0.44967616  1.0
  Ru  Ru27  1  0.12782711  0.17838376  0.45868030  1.0
  Ru  Ru28  1  0.87172897  0.82200935  0.54077534  1.0
  Ru  Ru29  1  0.37283874  0.04162996  0.55051275  1.0
  Ru  Ru30  1  0.12777807  0.67734616  0.66904713  1.0
  Ru  Ru31  1  0.62626592  0.66915504  0.67597118  1.0
  Ru  Ru32  1  0.37281683  0.54133023  0.82295152  1.0
  Ru  Ru33  1  0.87143420  0.05029338  0.83090662  1.0
  Ru  Ru34  1  0.62861634  0.16984775  0.95062869  1.0
  Ru  Ru35  1  0.12795612  0.44989415  0.95877516  1.0