data_[Li2Mo2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7371]
_cell_length_b [4.7371]
_cell_length_c [9.0354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiMoIrO6]
_chemical_formula_sum '[Li2 Mo2 Ir2 O12]'
_cell_volume [202.7561]
_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  2  0.0000  0.0000  0.0036  1.0
  Mo  Mo1  2  0.0000  0.0000  0.6731  1.0
  Ir  Ir2  2  0.0000  0.0000  0.3292  1.0
  O  O3  4  0.1822  0.8178  0.5003  1.0
  O  O4  4  0.2098  0.7902  0.1798  1.0
  O  O5  4  0.2116  0.7884  0.8170  1.0
]