# generated using pymatgen
data_Tb4ScIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76175853
_cell_length_b   10.76175853
_cell_length_c   6.26739531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb4ScIr3
_chemical_formula_sum   'Tb16 Sc4 Ir12'
_cell_volume   725.86118697
_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  0.28700371  0.08541826  0.38021688  1.0
  Tb  Tb1  1  0.28700371  0.91458174  0.88021688  1.0
  Tb  Tb2  1  0.71299629  0.08541826  0.88021688  1.0
  Tb  Tb3  1  0.71299629  0.91458174  0.38021688  1.0
  Tb  Tb4  1  0.58541826  0.78700371  0.88021688  1.0
  Tb  Tb5  1  0.58541826  0.21299629  0.38021688  1.0
  Tb  Tb6  1  0.41458174  0.78700371  0.38021688  1.0
  Tb  Tb7  1  0.41458174  0.21299629  0.88021688  1.0
  Tb  Tb8  1  0.21299629  0.41458174  0.61978312  1.0
  Tb  Tb9  1  0.21299629  0.58541826  0.11978312  1.0
  Tb  Tb10  1  0.78700371  0.41458174  0.11978312  1.0
  Tb  Tb11  1  0.78700371  0.58541826  0.61978312  1.0
  Tb  Tb12  1  0.91458174  0.71299629  0.11978312  1.0
  Tb  Tb13  1  0.91458174  0.28700371  0.61978312  1.0
  Tb  Tb14  1  0.08541826  0.71299629  0.61978312  1.0
  Tb  Tb15  1  0.08541826  0.28700371  0.11978312  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  0.85251430  0.14748570  0.25000000  1.0
  Ir  Ir21  1  0.85251430  0.85251430  0.75000000  1.0
  Ir  Ir22  1  0.14748570  0.14748570  0.75000000  1.0
  Ir  Ir23  1  0.14748570  0.85251430  0.25000000  1.0
  Ir  Ir24  1  0.64748570  0.35251430  0.75000000  1.0
  Ir  Ir25  1  0.64748570  0.64748570  0.25000000  1.0
  Ir  Ir26  1  0.35251430  0.35251430  0.25000000  1.0
  Ir  Ir27  1  0.35251430  0.64748570  0.75000000  1.0
  Ir  Ir28  1  0.50000000  0.00000000  0.12476821  1.0
  Ir  Ir29  1  0.50000000  0.00000000  0.62476821  1.0
  Ir  Ir30  1  0.00000000  0.50000000  0.87523179  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.37523179  1.0