# generated using pymatgen
data_TbTh3(BRu)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25664059
_cell_length_b   7.51660614
_cell_length_c   7.51660728
_cell_angle_alpha   89.68624882
_cell_angle_beta   114.09399664
_cell_angle_gamma   114.09400185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTh3(BRu)16
_chemical_formula_sum   'Tb1 Th3 B16 Ru16'
_cell_volume   427.60473637
_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
  Tb  Tb0  1  0.24999900  0.12500000  0.87500000  1.0
  Th  Th1  1  0.75000000  0.87499900  0.12499900  1.0
  Th  Th2  1  0.24999900  0.62499900  0.37500000  1.0
  Th  Th3  1  0.75000000  0.37500000  0.62500000  1.0
  B  B4  1  0.91339759  0.29040128  0.06192279  1.0
  B  B5  1  0.41411917  0.56225736  0.12346985  1.0
  B  B6  1  0.08588083  0.20935168  0.14813919  1.0
  B  B7  1  0.58320981  0.14600494  0.20654907  1.0
  B  B8  1  0.41190423  0.06203734  0.28757175  1.0
  B  B9  1  0.91339759  0.62299630  0.35147379  1.0
  B  B10  1  0.58660241  0.64852521  0.37700470  1.0
  B  B11  1  0.08588083  0.87653015  0.43774264  1.0
  B  B12  1  0.91679019  0.12333926  0.56279513  1.0
  B  B13  1  0.41190423  0.34986589  0.62433148  1.0
  B  B14  1  0.08809577  0.37566852  0.65013411  1.0
  B  B15  1  0.58660241  0.93807621  0.70959772  1.0
  B  B16  1  0.41411917  0.85186081  0.79064832  1.0
  B  B17  1  0.91679019  0.79345093  0.85399606  1.0
  B  B18  1  0.58320981  0.43720487  0.87665974  1.0
  B  B19  1  0.08809577  0.71242825  0.93796266  1.0
  Ru  Ru20  1  0.87192126  0.55109939  0.03921324  1.0
  Ru  Ru21  1  0.37191756  0.83232394  0.04947411  1.0
  Ru  Ru22  1  0.12808244  0.95052589  0.16767606  1.0
  Ru  Ru23  1  0.62650229  0.45864408  0.17807198  1.0
  Ru  Ru24  1  0.37276215  0.33326406  0.32159978  1.0
  Ru  Ru25  1  0.87192126  0.32082287  0.33270902  1.0
  Ru  Ru26  1  0.62807874  0.96078776  0.44890061  1.0
  Ru  Ru27  1  0.12808244  0.17755655  0.46040438  1.0
  Ru  Ru28  1  0.87349771  0.82192902  0.54135492  1.0
  Ru  Ru29  1  0.37276215  0.03949910  0.55116237  1.0
  Ru  Ru30  1  0.12723785  0.67840022  0.66673594  1.0
  Ru  Ru31  1  0.62807874  0.66729198  0.67917613  1.0
  Ru  Ru32  1  0.37191756  0.53959562  0.82244345  1.0
  Ru  Ru33  1  0.87349771  0.05156869  0.83214279  1.0
  Ru  Ru34  1  0.62650229  0.16785821  0.94843031  1.0
  Ru  Ru35  1  0.12723785  0.44883763  0.96050090  1.0