data_[Li8Tl4Cu4O16]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7870]
_cell_length_b [8.3346]
_cell_length_c [6.6067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.4901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2TlCuO4]
_chemical_formula_sum '[Li8 Tl4 Cu4 O16]'
_cell_volume [362.4391]
_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  0.0000  0.0000  1.0
  Li  Li1  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl2  4  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  4  0.2500  0.2500  0.0000  1.0
  O  O4  8  0.0893  0.2444  0.0940  1.0
  O  O5  8  0.2493  0.0261  0.0134  1.0
]