# generated using pymatgen
data_Tb4ScIr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.67309001
_cell_length_b   10.67309001
_cell_length_c   6.34094419
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4ScIr2Ru
_chemical_formula_sum   'Tb16 Sc4 Ir8 Ru4'
_cell_volume   722.32770805
_cell_formula_units_Z   4
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  0.28967091  0.08509488  0.37744634  1.0
  Tb  Tb1  1  0.28967091  0.91490512  0.87744634  1.0
  Tb  Tb2  1  0.71032909  0.08509488  0.87744634  1.0
  Tb  Tb3  1  0.71032909  0.91490512  0.37744634  1.0
  Tb  Tb4  1  0.58509488  0.78967091  0.87744634  1.0
  Tb  Tb5  1  0.58509488  0.21032909  0.37744634  1.0
  Tb  Tb6  1  0.41490512  0.78967091  0.37744634  1.0
  Tb  Tb7  1  0.41490512  0.21032909  0.87744634  1.0
  Tb  Tb8  1  0.21032909  0.41490512  0.62255366  1.0
  Tb  Tb9  1  0.21032909  0.58509488  0.12255366  1.0
  Tb  Tb10  1  0.78967091  0.41490512  0.12255366  1.0
  Tb  Tb11  1  0.78967091  0.58509488  0.62255366  1.0
  Tb  Tb12  1  0.91490512  0.71032909  0.12255366  1.0
  Tb  Tb13  1  0.91490512  0.28967091  0.62255366  1.0
  Tb  Tb14  1  0.08509488  0.71032909  0.62255366  1.0
  Tb  Tb15  1  0.08509488  0.28967091  0.12255366  1.0
  Sc  Sc16  1  0.00000000  0.00000000  0.50000000  1.0
  Sc  Sc17  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc18  1  0.50000000  0.50000000  0.00000000  1.0
  Sc  Sc19  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir20  1  0.85375291  0.14624709  0.25000000  1.0
  Ir  Ir21  1  0.85375291  0.85375291  0.75000000  1.0
  Ir  Ir22  1  0.14624709  0.14624709  0.75000000  1.0
  Ir  Ir23  1  0.14624709  0.85375291  0.25000000  1.0
  Ir  Ir24  1  0.64624709  0.35375291  0.75000000  1.0
  Ir  Ir25  1  0.64624709  0.64624709  0.25000000  1.0
  Ir  Ir26  1  0.35375291  0.35375291  0.25000000  1.0
  Ir  Ir27  1  0.35375291  0.64624709  0.75000000  1.0
  Ru  Ru28  1  0.50000000  0.00000000  0.12438607  1.0
  Ru  Ru29  1  0.50000000  0.00000000  0.62438607  1.0
  Ru  Ru30  1  0.00000000  0.50000000  0.87561393  1.0
  Ru  Ru31  1  0.00000000  0.50000000  0.37561393  1.0