data_[Li6Tl4Ni2O12]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4848]
_cell_length_b [9.8829]
_cell_length_c [5.2172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tl2NiO6]
_chemical_formula_sum '[Li6 Tl4 Ni2 O12]'
_cell_volume [269.8974]
_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  0.1350  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Tl  Tl2  4  0.0000  0.3293  0.0000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  O  O4  8  0.2270  0.1475  0.2440  1
  O  O5  4  0.2167  0.0000  0.7721  1
]