data_[Na4Tl2Cu2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.7187]
_cell_length_b [5.8794]
_cell_length_c [10.0303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2TlCuF6]
_chemical_formula_sum '[Na4 Tl2 Cu2 F12]'
_cell_volume [288.6934]
_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  0.2160  0.0583  0.2409  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1044  0.2180  0.9304  1.0
  F  F4  4  0.1997  0.6854  0.9236  1.0
  F  F5  4  0.3847  0.0703  0.7446  1.0
]