data_[Li4Tl4Ir4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.7555]
_cell_length_b [9.8587]
_cell_length_c [5.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTlIrO3]
_chemical_formula_sum '[Li4 Tl4 Ir4 O12]'
_cell_volume [306.8156]
_cell_formula_units_Z [4]
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  0.0000  0.4104  0.2500  1
  Tl  Tl1  4  0.0000  0.2742  0.7500  1
  Ir  Ir2  4  0.0000  0.0071  0.2500  1
  O  O3  8  0.2353  0.5000  0.0000  1
  O  O4  4  0.0000  0.2105  0.2500  1
]