# generated using pymatgen
data_Tb2Th2SiI6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26775640
_cell_length_b   14.27178616
_cell_length_c   14.97065854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Th2SiI6
_chemical_formula_sum   'Tb4 Th4 Si2 I12'
_cell_volume   911.84045695
_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  0.50000000  0.11157656  0.35173176  1.0
  Tb  Tb1  1  0.50000000  0.88842344  0.64826824  1.0
  Tb  Tb2  1  0.50000000  0.61157656  0.14826824  1.0
  Tb  Tb3  1  0.50000000  0.38842344  0.85173176  1.0
  Th  Th4  1  0.00000000  0.10862051  0.57420047  1.0
  Th  Th5  1  0.00000000  0.89137949  0.42579953  1.0
  Th  Th6  1  0.00000000  0.60862051  0.92579953  1.0
  Th  Th7  1  0.00000000  0.39137949  0.07420047  1.0
  Si  Si8  1  0.50000000  0.00000000  0.50000000  1.0
  Si  Si9  1  0.50000000  0.50000000  0.00000000  1.0
  I  I10  1  0.50000000  0.24464843  0.16809432  1.0
  I  I11  1  0.50000000  0.75535157  0.83190568  1.0
  I  I12  1  0.50000000  0.74464843  0.33190568  1.0
  I  I13  1  0.50000000  0.25535157  0.66809432  1.0
  I  I14  1  0.00000000  0.25728764  0.41151401  1.0
  I  I15  1  0.00000000  0.74271236  0.58848599  1.0
  I  I16  1  0.00000000  0.75728764  0.08848599  1.0
  I  I17  1  0.00000000  0.24271236  0.91151401  1.0
  I  I18  1  0.00000000  0.00471049  0.23907035  1.0
  I  I19  1  0.00000000  0.99528951  0.76092965  1.0
  I  I20  1  0.00000000  0.50471049  0.26092965  1.0
  I  I21  1  0.00000000  0.49528951  0.73907035  1.0