data_[K1La2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3378]
_cell_length_b [5.3647]
_cell_length_c [7.4560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KLa2IrO8]
_chemical_formula_sum '[K1 La2 Ir1 O8]'
_cell_volume [166.4000]
_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  0.0000  0.0000  0.5000  1
  La  La1  2  0.3744  0.5000  0.2101  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.1907  0.2669  0.8936  1
  O  O4  2  0.1681  0.5000  0.4966  1
  O  O5  2  0.3487  0.0000  0.2260  1
]