# generated using pymatgen
data_KNd6IrI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.00396188
_cell_length_b   10.00396137
_cell_length_c   10.00396097
_cell_angle_alpha   105.87782185
_cell_angle_beta   105.87781733
_cell_angle_gamma   105.87780845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNd6IrI12
_chemical_formula_sum   'K1 Nd6 Ir1 I12'
_cell_volume   858.04571223
_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
  K  K0  1  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.09692535  0.30288334  0.01976082  1.0
  Nd  Nd2  1  0.30288334  0.01976182  0.09692435  1.0
  Nd  Nd3  1  0.01976182  0.09692435  0.30288434  1.0
  Nd  Nd4  1  0.98023918  0.90307565  0.69711666  1.0
  Nd  Nd5  1  0.69711666  0.98023918  0.90307565  1.0
  Nd  Nd6  1  0.90307465  0.69711666  0.98023918  1.0
  Ir  Ir7  1  0.00000000  0.00000000  0.00000000  1.0
  I  I8  1  0.22732806  0.67673902  0.07748694  1.0
  I  I9  1  0.44182488  0.35661525  0.12272235  1.0
  I  I10  1  0.67674002  0.07748694  0.22732806  1.0
  I  I11  1  0.92251406  0.77267194  0.32326098  1.0
  I  I12  1  0.12272235  0.44182488  0.35661525  1.0
  I  I13  1  0.35661525  0.12272235  0.44182488  1.0
  I  I14  1  0.64338475  0.87727765  0.55817612  1.0
  I  I15  1  0.87727865  0.55817512  0.64338475  1.0
  I  I16  1  0.07748694  0.22732806  0.67674002  1.0
  I  I17  1  0.32326098  0.92251406  0.77267194  1.0
  I  I18  1  0.55817512  0.64338475  0.87727865  1.0
  I  I19  1  0.77267194  0.32326098  0.92251306  1.0