# generated using pymatgen
data_YTh3(BRu)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51548205
_cell_length_b   7.51548111
_cell_length_c   9.25675965
_cell_angle_alpha   114.09712675
_cell_angle_beta   114.09712390
_cell_angle_gamma   89.66984756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh3(BRu)16
_chemical_formula_sum   'Y1 Th3 B16 Ru16'
_cell_volume   427.48585275
_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
  Y  Y0  1  0.74999900  0.74999900  0.49999900  1.0
  Th  Th1  1  0.50000000  0.00000000  0.00000000  1.0
  Th  Th2  1  0.00000000  0.50000000  0.00000000  1.0
  Th  Th3  1  0.25000000  0.25000000  0.49999900  1.0
  B  B4  1  0.24787115  0.22655340  0.16331953  1.0
  B  B5  1  0.74819944  0.43765480  0.16673890  1.0
  B  B6  1  0.41853946  0.72908409  0.16673890  1.0
  B  B7  1  0.91544737  0.93676613  0.16331953  1.0
  B  B8  1  0.83439427  0.02316883  0.33581392  1.0
  B  B9  1  0.50141965  0.31264509  0.33581392  1.0
  B  B10  1  0.00059163  0.52522019  0.33816809  1.0
  B  B11  1  0.33757546  0.81294690  0.33816809  1.0
  B  B12  1  0.68705310  0.16242454  0.66183291  1.0
  B  B13  1  0.97477881  0.49940837  0.66183291  1.0
  B  B14  1  0.47683217  0.66560673  0.66418708  1.0
  B  B15  1  0.18735491  0.99858135  0.66418708  1.0
  B  B16  1  0.77091591  0.08146054  0.83326110  1.0
  B  B17  1  0.27344660  0.25212885  0.83668047  1.0
  B  B18  1  0.56323387  0.58455263  0.83668047  1.0
  B  B19  1  0.06234520  0.75180156  0.83326110  1.0
  Ru  Ru20  1  0.94573234  0.20769153  0.12195571  1.0
  Ru  Ru21  1  0.44682732  0.41645286  0.12349275  1.0
  Ru  Ru22  1  0.67666443  0.70703989  0.12349275  1.0
  Ru  Ru23  1  0.17622337  0.91426418  0.12195571  1.0
  Ru  Ru24  1  0.57569825  0.04245636  0.37812050  1.0
  Ru  Ru25  1  0.80242125  0.33566514  0.37812050  1.0
  Ru  Ru26  1  0.30333620  0.54162167  0.37727018  1.0
  Ru  Ru27  1  0.07393398  0.83564751  0.37727018  1.0
  Ru  Ru28  1  0.95837733  0.19666380  0.62272982  1.0
  Ru  Ru29  1  0.66435149  0.42606602  0.62272982  1.0
  Ru  Ru30  1  0.16433586  0.69757875  0.62187950  1.0
  Ru  Ru31  1  0.45754364  0.92430175  0.62187950  1.0
  Ru  Ru32  1  0.08354714  0.05317268  0.87650725  1.0
  Ru  Ru33  1  0.58573582  0.32377663  0.87804429  1.0
  Ru  Ru34  1  0.29230847  0.55426666  0.87804429  1.0
  Ru  Ru35  1  0.79296011  0.82333457  0.87650725  1.0