# generated using pymatgen
data_Nd6YSiI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89530225
_cell_length_b   9.89530135
_cell_length_c   9.89530249
_cell_angle_alpha   107.59655045
_cell_angle_beta   107.59654481
_cell_angle_gamma   107.59654235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6YSiI12
_chemical_formula_sum   'Nd6 Y1 Si1 I12'
_cell_volume   793.42710260
_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
  Nd  Nd0  1  0.68728050  0.96634493  0.89690925  1.0
  Nd  Nd1  1  0.96634493  0.89690925  0.68728050  1.0
  Nd  Nd2  1  0.10309075  0.31271950  0.03365507  1.0
  Nd  Nd3  1  0.31271950  0.03365507  0.10309075  1.0
  Nd  Nd4  1  0.89690925  0.68728050  0.96634493  1.0
  Nd  Nd5  1  0.03365507  0.10309075  0.31271950  1.0
  Y  Y6  1  0.50000000  0.50000000  0.50000000  1.0
  Si  Si7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.07710948  0.23341125  0.68776192  1.0
  I  I9  1  0.39674724  0.16452481  0.47431921  1.0
  I  I10  1  0.60325276  0.83547519  0.52568079  1.0
  I  I11  1  0.23341125  0.68776192  0.07710948  1.0
  I  I12  1  0.76658875  0.31223808  0.92289052  1.0
  I  I13  1  0.68776192  0.07710948  0.23341125  1.0
  I  I14  1  0.52568079  0.60325276  0.83547519  1.0
  I  I15  1  0.83547519  0.52568079  0.60325276  1.0
  I  I16  1  0.92289052  0.76658875  0.31223808  1.0
  I  I17  1  0.31223808  0.92289052  0.76658875  1.0
  I  I18  1  0.47431921  0.39674724  0.16452481  1.0
  I  I19  1  0.16452481  0.47431921  0.39674724  1.0