# generated using pymatgen
data_TbI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.23011483
_cell_length_b   11.23011595
_cell_length_c   4.00855111
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbI3
_chemical_formula_sum   'Tb2 I6'
_cell_volume   437.81081202
_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  0.33333300  0.66666700  0.74999900  1.0
  Tb  Tb1  1  0.66666700  0.33333300  0.25000000  1.0
  I  I2  1  0.21447559  0.42895419  0.25000000  1.0
  I  I3  1  0.57104781  0.78552541  0.25000000  1.0
  I  I4  1  0.21447659  0.78552541  0.25000000  1.0
  I  I5  1  0.78552441  0.57104781  0.74999900  1.0
  I  I6  1  0.42895419  0.21447559  0.74999900  1.0
  I  I7  1  0.78552441  0.21447559  0.74999900  1.0