# generated using pymatgen
data_SrNd6RuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99815801
_cell_length_b   9.99815690
_cell_length_c   9.99815623
_cell_angle_alpha   106.44807861
_cell_angle_beta   106.44808891
_cell_angle_gamma   106.44808521
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNd6RuI12
_chemical_formula_sum   'Sr1 Nd6 Ru1 I12'
_cell_volume   844.56749268
_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
  Sr  Sr0  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.90380109  0.69962912  0.97882424  1.0
  Nd  Nd2  1  0.97882424  0.90380109  0.69962912  1.0
  Nd  Nd3  1  0.69962912  0.97882424  0.90380109  1.0
  Nd  Nd4  1  0.09619891  0.30037088  0.02117576  1.0
  Nd  Nd5  1  0.02117576  0.09619891  0.30037088  1.0
  Nd  Nd6  1  0.30037088  0.02117576  0.09619891  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.62731211  0.85707262  0.54513959  1.0
  I  I9  1  0.54513959  0.62731211  0.85707262  1.0
  I  I10  1  0.85707262  0.54513959  0.62731211  1.0
  I  I11  1  0.37268789  0.14292738  0.45486041  1.0
  I  I12  1  0.45486041  0.37268789  0.14292738  1.0
  I  I13  1  0.14292738  0.45486041  0.37268789  1.0
  I  I14  1  0.67863284  0.07429577  0.22703659  1.0
  I  I15  1  0.22703659  0.67863284  0.07429577  1.0
  I  I16  1  0.07429577  0.22703659  0.67863284  1.0
  I  I17  1  0.32136716  0.92570423  0.77296341  1.0
  I  I18  1  0.77296341  0.32136716  0.92570423  1.0
  I  I19  1  0.92570423  0.77296341  0.32136716  1.0