# generated using pymatgen
data_Tb3RuI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84854330
_cell_length_b   4.23918077
_cell_length_c   12.30251664
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.53191117
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3RuI3
_chemical_formula_sum   'Tb6 Ru2 I6'
_cell_volume   460.59796307
_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  0.26262709  0.75000000  0.10305809  1.0
  Tb  Tb1  1  0.87119789  0.75000000  0.12421455  1.0
  Tb  Tb2  1  0.09886922  0.24999900  0.31579499  1.0
  Tb  Tb3  1  0.90113178  0.75000000  0.68420501  1.0
  Tb  Tb4  1  0.12880111  0.24999900  0.87578545  1.0
  Tb  Tb5  1  0.73737191  0.24999900  0.89694091  1.0
  Ru  Ru6  1  0.05628006  0.24999900  0.09412874  1.0
  Ru  Ru7  1  0.94371994  0.75000000  0.90587126  1.0
  I  I8  1  0.57476036  0.24999900  0.13313768  1.0
  I  I9  1  0.35257359  0.75000000  0.36288919  1.0
  I  I10  1  0.85675358  0.75000000  0.39143415  1.0
  I  I11  1  0.14324642  0.24999900  0.60856685  1.0
  I  I12  1  0.64742641  0.24999900  0.63711081  1.0
  I  I13  1  0.42523964  0.75000000  0.86686332  1.0