# generated using pymatgen
data_TbTh3(B4Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09281118
_cell_length_b   7.09281223
_cell_length_c   7.09281157
_cell_angle_alpha   111.72521770
_cell_angle_beta   111.72522349
_cell_angle_gamma   105.05158333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbTh3(B4Ir)4
_chemical_formula_sum   'Tb1 Th3 B16 Ir4'
_cell_volume   273.47064054
_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  0.25000000  0.75000000  0.50000000  1.0
  Th  Th1  1  0.21611127  0.21611127  1.00000000  1.0
  Th  Th2  1  0.78388873  0.78388873  0.00000000  1.0
  Th  Th3  1  0.75000000  0.25000000  0.50000000  1.0
  B  B4  1  0.10698194  0.26433917  0.37230487  1.0
  B  B5  1  0.89203530  0.73467807  0.62769513  1.0
  B  B6  1  0.89203530  0.26433917  0.15735823  1.0
  B  B7  1  0.10698194  0.73467807  0.84264177  1.0
  B  B8  1  0.73566083  0.89301806  0.62769513  1.0
  B  B9  1  0.26532193  0.10796470  0.37230487  1.0
  B  B10  1  0.73566083  0.10796470  0.84264177  1.0
  B  B11  1  0.26532193  0.89301806  0.15735823  1.0
  B  B12  1  0.41374016  0.41556836  0.52730895  1.0
  B  B13  1  0.88825942  0.88643221  0.47269105  1.0
  B  B14  1  0.58443164  0.11174058  0.99817280  1.0
  B  B15  1  0.11356779  0.58625984  0.00182720  1.0
  B  B16  1  0.58443164  0.58625984  0.47269105  1.0
  B  B17  1  0.11356779  0.11174058  0.52730895  1.0
  B  B18  1  0.88825942  0.41556836  0.00182720  1.0
  B  B19  1  0.41374016  0.88643221  0.99817280  1.0
  Ir  Ir20  1  0.49879614  0.25828885  0.75949171  1.0
  Ir  Ir21  1  0.49879614  0.73930342  0.24050829  1.0
  Ir  Ir22  1  0.74171115  0.50120386  0.24050829  1.0
  Ir  Ir23  1  0.26069658  0.50120386  0.75949171  1.0