data_[Na6Tl4Cu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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/m]
_cell_length_a [5.7311]
_cell_length_b [9.9223]
_cell_length_c [5.8308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Tl2CuO6]
_chemical_formula_sum '[Na6 Tl4 Cu2 O12]'
_cell_volume [313.1717]
_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
[
  Na  Na0  4  0.0000  0.1602  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.0000  0.3327  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2239  0.1524  0.2174  1.0
  O  O5  4  0.2328  0.0000  0.7905  1.0
]