# generated using pymatgen
data_SrNd6IrI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98751162
_cell_length_b   9.98751070
_cell_length_c   9.98751063
_cell_angle_alpha   106.42167942
_cell_angle_beta   106.42167684
_cell_angle_gamma   106.42168394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNd6IrI12
_chemical_formula_sum   'Sr1 Nd6 Ir1 I12'
_cell_volume   842.43972690
_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  0.09906757  0.02335750  0.30320124  1.0
  Nd  Nd2  1  0.30320124  0.09906757  0.02335750  1.0
  Nd  Nd3  1  0.02335750  0.30320124  0.09906757  1.0
  Nd  Nd4  1  0.90093243  0.97664250  0.69679876  1.0
  Nd  Nd5  1  0.69679876  0.90093243  0.97664250  1.0
  Nd  Nd6  1  0.97664250  0.69679876  0.90093243  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.07210825  0.67757890  0.22654810  1.0
  I  I9  1  0.22654810  0.07210825  0.67757890  1.0
  I  I10  1  0.67757890  0.22654810  0.07210825  1.0
  I  I11  1  0.92789175  0.32242110  0.77345190  1.0
  I  I12  1  0.77345190  0.92789175  0.32242110  1.0
  I  I13  1  0.32242110  0.77345190  0.92789175  1.0
  I  I14  1  0.45844013  0.14387686  0.37481745  1.0
  I  I15  1  0.37481745  0.45844013  0.14387686  1.0
  I  I16  1  0.14387686  0.37481745  0.45844013  1.0
  I  I17  1  0.54155987  0.85612314  0.62518255  1.0
  I  I18  1  0.62518255  0.54155987  0.85612314  1.0
  I  I19  1  0.85612314  0.62518255  0.54155987  1.0