# generated using pymatgen
data_NaYb3IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34456272
_cell_length_b   6.34456273
_cell_length_c   6.34456262
_cell_angle_alpha   90.21268371
_cell_angle_beta   90.21268075
_cell_angle_gamma   90.21269041
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYb3IrO6
_chemical_formula_sum   'Na2 Yb6 Ir2 O12'
_cell_volume   255.38540840
_cell_formula_units_Z   2
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
  Na  Na0  1  0.25000000  0.25000000  0.25000000  1.0
  Na  Na1  1  0.75000000  0.75000000  0.75000000  1.0
  Yb  Yb2  1  0.75000000  0.10970894  0.39029106  1.0
  Yb  Yb3  1  0.39029106  0.75000000  0.10970894  1.0
  Yb  Yb4  1  0.10970894  0.39029106  0.75000000  1.0
  Yb  Yb5  1  0.25000000  0.89029106  0.60970894  1.0
  Yb  Yb6  1  0.60970894  0.25000000  0.89029106  1.0
  Yb  Yb7  1  0.89029106  0.60970894  0.25000000  1.0
  Ir  Ir8  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.42849985  0.20293429  0.56130630  1.0
  O  O11  1  0.56130630  0.42849985  0.20293429  1.0
  O  O12  1  0.20293429  0.56130630  0.42849985  1.0
  O  O13  1  0.07150015  0.93869370  0.29706571  1.0
  O  O14  1  0.29706571  0.07150015  0.93869370  1.0
  O  O15  1  0.93869370  0.29706571  0.07150015  1.0
  O  O16  1  0.57150015  0.79706571  0.43869370  1.0
  O  O17  1  0.43869370  0.57150015  0.79706571  1.0
  O  O18  1  0.79706571  0.43869370  0.57150015  1.0
  O  O19  1  0.92849985  0.06130630  0.70293429  1.0
  O  O20  1  0.06130630  0.70293429  0.92849985  1.0
  O  O21  1  0.70293429  0.92849985  0.06130630  1.0