# generated using pymatgen
data_CaYb2IrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78329467
_cell_length_b   5.41212728
_cell_length_c   9.56771708
_cell_angle_alpha   55.20734419
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYb2IrO6
_chemical_formula_sum   'Ca2 Yb4 Ir2 O12'
_cell_volume   245.93051075
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.00000000  1.0
  Yb  Yb2  1  0.06910091  0.23258131  0.74429511  1.0
  Yb  Yb3  1  0.56910091  0.76741869  0.75570489  1.0
  Yb  Yb4  1  0.43089909  0.23258131  0.24429511  1.0
  Yb  Yb5  1  0.93089909  0.76741869  0.25570489  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir7  1  0.50000000  0.00000000  0.00000000  1.0
  O  O8  1  0.05898793  0.35541162  0.27314770  1.0
  O  O9  1  0.55898793  0.64458838  0.22685230  1.0
  O  O10  1  0.94101207  0.64458838  0.72685230  1.0
  O  O11  1  0.44101207  0.35541162  0.77314770  1.0
  O  O12  1  0.71944992  0.91218190  0.42346474  1.0
  O  O13  1  0.21944992  0.08781810  0.07653526  1.0
  O  O14  1  0.28055008  0.08781810  0.57653526  1.0
  O  O15  1  0.78055008  0.91218190  0.92346474  1.0
  O  O16  1  0.32554363  0.76482747  0.94405135  1.0
  O  O17  1  0.82554363  0.23517253  0.55594865  1.0
  O  O18  1  0.67445637  0.23517253  0.05594865  1.0
  O  O19  1  0.17445637  0.76482747  0.44405135  1.0