data_[Li4Ir4O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0253]
_cell_length_b [7.2998]
_cell_length_c [5.1685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Li4Ir4O11]
_chemical_formula_sum '[Li4 Ir4 O11]'
_cell_volume [189.5966]
_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
[
  Li  Li0  1  0.5042  0.5000  0.5634  1
  Li  Li1  1  0.5067  0.0000  0.4547  1
  Li  Li2  1  0.9937  0.5000  0.0392  1
  Li  Li3  1  0.9942  0.0000  0.9604  1
  Ir  Ir4  2  0.5008  0.2504  0.9976  1
  Ir  Ir5  2  0.9972  0.2534  0.4984  1
  O  O6  2  0.1669  0.1901  0.1721  1
  O  O7  2  0.3349  0.1896  0.6650  1
  O  O8  2  0.6742  0.3255  0.3220  1
  O  O9  2  0.8287  0.3217  0.8225  1
  O  O10  1  0.3585  0.5000  0.9321  1
  O  O11  1  0.6321  0.0000  0.0789  1
  O  O12  1  0.8704  0.0000  0.5843  1
]