# generated using pymatgen
data_TbThSiI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25834980
_cell_length_b   4.25835002
_cell_length_c   11.63386352
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999832
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbThSiI2
_chemical_formula_sum   'Tb1 Th1 Si1 I2'
_cell_volume   182.69947240
_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  0.66666800  0.33333300  0.63705648  1.0
  Th  Th1  1  0.33333300  0.66666600  0.36886107  1.0
  Si  Si2  1  0.00000000  0.00000000  0.50411769  1.0
  I  I3  1  0.66666800  0.33333300  0.18059790  1.0
  I  I4  1  0.33333300  0.66666600  0.80936786  1.0