# generated using pymatgen
data_Tb6YbSI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.58834835
_cell_length_b   9.58834873
_cell_length_c   9.58834800
_cell_angle_alpha   107.17248850
_cell_angle_beta   107.17248027
_cell_angle_gamma   107.17247547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb6YbSI12
_chemical_formula_sum   'Tb6 Yb1 S1 I12'
_cell_volume   730.65530731
_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  0.90387401  0.70270714  0.97327135  1.0
  Tb  Tb1  1  0.97327135  0.90387401  0.70270714  1.0
  Tb  Tb2  1  0.70270714  0.97327135  0.90387401  1.0
  Tb  Tb3  1  0.09612599  0.29729286  0.02672865  1.0
  Tb  Tb4  1  0.02672865  0.09612599  0.29729286  1.0
  Tb  Tb5  1  0.29729286  0.02672865  0.09612599  1.0
  Yb  Yb6  1  0.50000000  0.50000000  0.50000000  1.0
  S  S7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.62013326  0.85213751  0.54130320  1.0
  I  I9  1  0.54130320  0.62013326  0.85213751  1.0
  I  I10  1  0.85213751  0.54130320  0.62013326  1.0
  I  I11  1  0.37986674  0.14786249  0.45869680  1.0
  I  I12  1  0.45869680  0.37986674  0.14786249  1.0
  I  I13  1  0.14786249  0.45869680  0.37986674  1.0
  I  I14  1  0.68471601  0.07855352  0.22930920  1.0
  I  I15  1  0.22930920  0.68471601  0.07855352  1.0
  I  I16  1  0.07855352  0.22930920  0.68471601  1.0
  I  I17  1  0.31528399  0.92144648  0.77069080  1.0
  I  I18  1  0.77069080  0.31528399  0.92144648  1.0
  I  I19  1  0.92144648  0.77069080  0.31528399  1.0