# generated using pymatgen
data_TbNd6SiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89703772
_cell_length_b   9.89703669
_cell_length_c   9.89703751
_cell_angle_alpha   107.59890536
_cell_angle_beta   107.59890596
_cell_angle_gamma   107.59891263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNd6SiI12
_chemical_formula_sum   'Tb1 Nd6 Si1 I12'
_cell_volume   793.78963645
_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  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.89657668  0.68730961  0.96608781  1.0
  Nd  Nd2  1  0.96608781  0.89657668  0.68730961  1.0
  Nd  Nd3  1  0.68730961  0.96608781  0.89657668  1.0
  Nd  Nd4  1  0.10342332  0.31269039  0.03391219  1.0
  Nd  Nd5  1  0.03391219  0.10342332  0.31269039  1.0
  Nd  Nd6  1  0.31269039  0.03391219  0.10342332  1.0
  Si  Si7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.60378560  0.83611811  0.52566729  1.0
  I  I9  1  0.52566729  0.60378560  0.83611811  1.0
  I  I10  1  0.83611811  0.52566729  0.60378560  1.0
  I  I11  1  0.39621440  0.16388189  0.47433271  1.0
  I  I12  1  0.47433271  0.39621440  0.16388189  1.0
  I  I13  1  0.16388189  0.47433271  0.39621440  1.0
  I  I14  1  0.68768262  0.07707610  0.23327996  1.0
  I  I15  1  0.23327996  0.68768262  0.07707610  1.0
  I  I16  1  0.07707610  0.23327996  0.68768262  1.0
  I  I17  1  0.31231738  0.92292390  0.76672004  1.0
  I  I18  1  0.76672004  0.31231738  0.92292390  1.0
  I  I19  1  0.92292390  0.76672004  0.31231738  1.0