data_[Li12Tl4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2171]
_cell_length_b [3.2751]
_cell_length_c [9.3708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3TlO2]
_chemical_formula_sum '[Li12 Tl4 O8]'
_cell_volume [343.0547]
_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  0.0452  0.0000  0.6104  1.0
  Li  Li1  4  0.0939  0.5000  0.3400  1.0
  Li  Li2  4  0.1974  0.5000  0.5680  1.0
  Tl  Tl3  4  0.1210  0.0000  0.9073  1.0
  O  O4  4  0.0799  0.5000  0.7247  1.0
  O  O5  4  0.1320  0.0000  0.4410  1.0
]