# generated using pymatgen
data_Tb2Sm5SI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70004371
_cell_length_b   9.69278947
_cell_length_c   9.70769131
_cell_angle_alpha   107.91923650
_cell_angle_beta   107.83381638
_cell_angle_gamma   107.87276197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Sm5SI12
_chemical_formula_sum   'Tb2 Sm5 S1 I12'
_cell_volume   741.22554143
_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  0.50018544  0.50002161  0.49973667  1.0
  Tb  Tb1  1  0.69770075  0.96500021  0.89673354  1.0
  Sm  Sm2  1  0.03607947  0.10410791  0.30483686  1.0
  Sm  Sm3  1  0.10429523  0.30461872  0.03589874  1.0
  Sm  Sm4  1  0.30177645  0.03497816  0.10266780  1.0
  Sm  Sm5  1  0.96574124  0.89583374  0.69601585  1.0
  Sm  Sm6  1  0.89601254  0.69501484  0.96446629  1.0
  S  S7  1  0.99616379  0.99926955  0.99882666  1.0
  I  I8  1  0.15517395  0.47365381  0.39291339  1.0
  I  I9  1  0.47369597  0.39341533  0.15549119  1.0
  I  I10  1  0.39335222  0.15535455  0.47322917  1.0
  I  I11  1  0.84445046  0.52539566  0.60731571  1.0
  I  I12  1  0.52775359  0.61315647  0.84528821  1.0
  I  I13  1  0.60858027  0.84783624  0.53272933  1.0
  I  I14  1  0.68477824  0.07481297  0.22287073  1.0
  I  I15  1  0.07713186  0.23028508  0.68584912  1.0
  I  I16  1  0.22960257  0.68555898  0.07781165  1.0
  I  I17  1  0.31651135  0.92324845  0.77139314  1.0
  I  I18  1  0.92272061  0.76958371  0.31421397  1.0
  I  I19  1  0.76829301  0.30885602  0.92171398  1.0