data_[Na1Tl2Cu1F8]
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 [P-1]
_cell_length_a [4.2148]
_cell_length_b [5.5172]
_cell_length_c [7.4987]
_cell_angle_alpha [86.7608]
_cell_angle_beta [88.8679]
_cell_angle_gamma [87.5088]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTl2CuF8]
_chemical_formula_sum '[Na1 Tl2 Cu1 F8]'
_cell_volume [173.9030]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.4308  0.4914  0.7492  1.0
  Cu  Cu2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0833  0.3422  0.2622  1.0
  F  F4  2  0.1317  0.1518  0.7766  1.0
  F  F5  2  0.3588  0.7371  0.9966  1.0
  F  F6  2  0.4226  0.7377  0.4873  1.0
]