# generated using pymatgen
data_Tb3Sm4SiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74561448
_cell_length_b   9.77057647
_cell_length_c   9.77004200
_cell_angle_alpha   107.77824012
_cell_angle_beta   107.82826918
_cell_angle_gamma   107.67712817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Sm4SiI12
_chemical_formula_sum   'Tb3 Sm4 Si1 I12'
_cell_volume   758.10347742
_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  0.52383599  0.52374298  0.52335100  1.0
  Tb  Tb1  1  0.02718805  0.30744746  0.09941371  1.0
  Tb  Tb2  1  0.30854818  0.09994670  0.02912321  1.0
  Sm  Sm3  1  0.89062093  0.96021143  0.68699580  1.0
  Sm  Sm4  1  0.95975635  0.68760976  0.89056579  1.0
  Sm  Sm5  1  0.68715722  0.89093185  0.96018063  1.0
  Sm  Sm6  1  0.10096758  0.02785827  0.31086048  1.0
  Si  Si7  1  0.00386724  0.00423436  0.00313306  1.0
  I  I8  1  0.52203105  0.84796427  0.60430791  1.0
  I  I9  1  0.84895136  0.60609013  0.52229766  1.0
  I  I10  1  0.60367907  0.52239281  0.84753331  1.0
  I  I11  1  0.47100512  0.16668300  0.38863522  1.0
  I  I12  1  0.16443459  0.39258253  0.46534730  1.0
  I  I13  1  0.38789504  0.46431594  0.16330367  1.0
  I  I14  1  0.68518601  0.22918330  0.07716929  1.0
  I  I15  1  0.23173591  0.07841644  0.68972767  1.0
  I  I16  1  0.07661273  0.68094908  0.22661972  1.0
  I  I17  1  0.31395137  0.77295074  0.92599880  1.0
  I  I18  1  0.76678310  0.92287789  0.31307496  1.0
  I  I19  1  0.92579513  0.31361307  0.77236182  1.0