data_[Li4Y2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.3295]
_cell_length_b [5.4756]
_cell_length_c [9.4137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2YIrO6]
_chemical_formula_sum '[Li4 Y2 Ir2 O12]'
_cell_volume [227.7845]
_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
[
  Li  Li0  4  0.2758  0.0220  0.2572  1.0
  Y  Y1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0568  0.1918  0.9253  1.0
  O  O4  4  0.2529  0.6453  0.9400  1.0
  O  O5  4  0.3494  0.0733  0.7276  1.0
]