data_[Na8Tl4Cu4F16]
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 [Cmcm]
_cell_length_a [3.5197]
_cell_length_b [12.0829]
_cell_length_c [11.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2TlCuF4]
_chemical_formula_sum '[Na8 Tl4 Cu4 F16]'
_cell_volume [509.4447]
_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
[
  Na  Na0  8  0.0000  0.3721  0.5483  1.0
  Tl  Tl1  4  0.0000  0.0607  0.7500  1.0
  Cu  Cu2  4  0.0000  0.2472  0.2500  1.0
  F  F3  8  0.0000  0.2485  0.0961  1.0
  F  F4  4  0.0000  0.0000  0.0000  1.0
  F  F5  4  0.0000  0.4040  0.7500  1.0
]