# generated using pymatgen
data_Tb16Sc4(Ir3Ru)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.70308529
_cell_length_b   10.70308529
_cell_length_c   6.32066730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb16Sc4(Ir3Ru)3
_chemical_formula_sum   'Tb16 Sc4 Ir9 Ru3'
_cell_volume   724.07058210
_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  0.28985189  0.08483235  0.37927745  1.0
  Tb  Tb1  1  0.29010292  0.91561983  0.87978175  1.0
  Tb  Tb2  1  0.70989708  0.08438017  0.87978175  1.0
  Tb  Tb3  1  0.71014811  0.91516765  0.37927745  1.0
  Tb  Tb4  1  0.58438017  0.79010292  0.87978175  1.0
  Tb  Tb5  1  0.58483235  0.21014811  0.37927745  1.0
  Tb  Tb6  1  0.41516765  0.78985189  0.37927745  1.0
  Tb  Tb7  1  0.41561983  0.20989708  0.87978175  1.0
  Tb  Tb8  1  0.21204437  0.41448562  0.62305086  1.0
  Tb  Tb9  1  0.21156003  0.58562167  0.11979918  1.0
  Tb  Tb10  1  0.78843997  0.41437833  0.11979918  1.0
  Tb  Tb11  1  0.78795563  0.58551438  0.62305086  1.0
  Tb  Tb12  1  0.91437833  0.71156003  0.11979918  1.0
  Tb  Tb13  1  0.91448562  0.28795563  0.62305086  1.0
  Tb  Tb14  1  0.08551438  0.71204437  0.62305086  1.0
  Tb  Tb15  1  0.08562167  0.28843997  0.11979918  1.0
  Sc  Sc16  1  0.00000000  0.00000000  0.49798074  1.0
  Sc  Sc17  1  0.00000000  0.00000000  0.99804011  1.0
  Sc  Sc18  1  0.50000000  0.50000000  0.99804011  1.0
  Sc  Sc19  1  0.50000000  0.50000000  0.49798074  1.0
  Ir  Ir20  1  0.85381938  0.14686799  0.24928907  1.0
  Ir  Ir21  1  0.85337511  0.85332848  0.74901292  1.0
  Ir  Ir22  1  0.14662489  0.14667152  0.74901292  1.0
  Ir  Ir23  1  0.14618062  0.85313201  0.24928907  1.0
  Ir  Ir24  1  0.64667152  0.35337511  0.74901292  1.0
  Ir  Ir25  1  0.64686799  0.64618062  0.24928907  1.0
  Ir  Ir26  1  0.35313201  0.35381938  0.24928907  1.0
  Ir  Ir27  1  0.35332848  0.64662489  0.74901292  1.0
  Ir  Ir28  1  0.00000000  0.50000000  0.37714075  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.12716255  1.0
  Ru  Ru30  1  0.50000000  0.00000000  0.62686483  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.87594525  1.0