# generated using pymatgen
data_Nd6YRuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97400453
_cell_length_b   9.97400345
_cell_length_c   9.97400410
_cell_angle_alpha   107.03244654
_cell_angle_beta   107.03244231
_cell_angle_gamma   107.03243426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd6YRuI12
_chemical_formula_sum   'Nd6 Y1 Ru1 I12'
_cell_volume   825.59917491
_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  0.69905286  0.97727109  0.90336524  1.0
  Nd  Nd1  1  0.97727109  0.90336524  0.69905286  1.0
  Nd  Nd2  1  0.09663476  0.30094714  0.02272891  1.0
  Nd  Nd3  1  0.30094714  0.02272891  0.09663476  1.0
  Nd  Nd4  1  0.90336524  0.69905286  0.97727109  1.0
  Nd  Nd5  1  0.02272891  0.09663476  0.30094714  1.0
  Y  Y6  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.07229214  0.22920785  0.67869388  1.0
  I  I9  1  0.39092979  0.16874443  0.46884774  1.0
  I  I10  1  0.60907021  0.83125557  0.53115226  1.0
  I  I11  1  0.22920785  0.67869388  0.07229214  1.0
  I  I12  1  0.77079215  0.32130612  0.92770786  1.0
  I  I13  1  0.67869388  0.07229214  0.22920785  1.0
  I  I14  1  0.53115226  0.60907021  0.83125557  1.0
  I  I15  1  0.83125557  0.53115226  0.60907021  1.0
  I  I16  1  0.92770786  0.77079215  0.32130612  1.0
  I  I17  1  0.32130612  0.92770786  0.77079215  1.0
  I  I18  1  0.46884774  0.39092979  0.16874443  1.0
  I  I19  1  0.16874443  0.46884774  0.39092979  1.0