# generated using pymatgen
data_Nd6SmRuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98097410
_cell_length_b   9.98097291
_cell_length_c   9.98097362
_cell_angle_alpha   106.89131647
_cell_angle_beta   106.89131288
_cell_angle_gamma   106.89131484
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6SmRuI12
_chemical_formula_sum   'Nd6 Sm1 Ru1 I12'
_cell_volume   830.50781132
_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  0.90414231  0.69978563  0.97820442  1.0
  Nd  Nd1  1  0.97820442  0.90414231  0.69978563  1.0
  Nd  Nd2  1  0.69978563  0.97820442  0.90414231  1.0
  Nd  Nd3  1  0.09585769  0.30021437  0.02179558  1.0
  Nd  Nd4  1  0.02179558  0.09585769  0.30021437  1.0
  Nd  Nd5  1  0.30021437  0.02179558  0.09585769  1.0
  Sm  Sm6  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.61310519  0.83739366  0.53396605  1.0
  I  I9  1  0.53396605  0.61310519  0.83739366  1.0
  I  I10  1  0.83739366  0.53396605  0.61310519  1.0
  I  I11  1  0.38689481  0.16260634  0.46603395  1.0
  I  I12  1  0.46603395  0.38689481  0.16260634  1.0
  I  I13  1  0.16260634  0.46603395  0.38689481  1.0
  I  I14  1  0.67873073  0.07451893  0.22955272  1.0
  I  I15  1  0.22955272  0.67873073  0.07451893  1.0
  I  I16  1  0.07451893  0.22955272  0.67873073  1.0
  I  I17  1  0.32126927  0.92548107  0.77044728  1.0
  I  I18  1  0.77044728  0.32126927  0.92548107  1.0
  I  I19  1  0.92548107  0.77044728  0.32126927  1.0