data_[Li6Sc2Tl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  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 [5.5802]
_cell_length_b [9.8672]
_cell_length_c [5.3893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3ScTl2O6]
_chemical_formula_sum '[Li6 Sc2 Tl4 O12]'
_cell_volume [281.4622]
_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  4  0.0000  0.1484  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.3324  0.0000  1.0
  O  O4  8  0.2302  0.1543  0.2436  1.0
  O  O5  4  0.2359  0.0000  0.7532  1.0
]