data_[Li3Tl3Cr6O24]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0324]
_cell_length_b [6.0324]
_cell_length_c [16.8541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiTlCr2O8]
_chemical_formula_sum '[Li3 Tl3 Cr6 O24]'
_cell_volume [531.1420]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  3  -0.0000  -0.0000  0.5000  1.0
  Cr  Cr2  6  0.0000  0.0000  0.2106  1.0
  O  O3  18  0.0284  0.5142  0.9099  1.0
  O  O4  6  0.0000  0.0000  0.1141  1.0
]