# generated using pymatgen
data_Tb3IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28796682
_cell_length_b   8.81796314
_cell_length_c   12.30387181
_cell_angle_alpha   86.28255284
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3IrI3
_chemical_formula_sum   'Tb6 Ir2 I6'
_cell_volume   464.24447138
_cell_formula_units_Z   2
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  0.75000000  0.14059456  0.12813788  1.0
  Tb  Tb1  1  0.25000000  0.85940544  0.87186212  1.0
  Tb  Tb2  1  0.75000000  0.09719762  0.68377813  1.0
  Tb  Tb3  1  0.25000000  0.90280238  0.31622187  1.0
  Tb  Tb4  1  0.25000000  0.25174708  0.90041294  1.0
  Tb  Tb5  1  0.75000000  0.74825292  0.09958706  1.0
  Ir  Ir6  1  0.75000000  0.05036079  0.90617055  1.0
  Ir  Ir7  1  0.25000000  0.94963921  0.09382945  1.0
  I  I8  1  0.25000000  0.42810792  0.13414380  1.0
  I  I9  1  0.75000000  0.57189208  0.86585620  1.0
  I  I10  1  0.25000000  0.35086905  0.63807737  1.0
  I  I11  1  0.75000000  0.64913095  0.36192263  1.0
  I  I12  1  0.75000000  0.14284885  0.39344790  1.0
  I  I13  1  0.25000000  0.85715115  0.60655210  1.0