data_[Na1Be2Tl3F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8546]
_cell_length_b [5.8546]
_cell_length_c [7.6016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaBe2Tl3F8]
_chemical_formula_sum '[Na1 Be2 Tl3 F8]'
_cell_volume [225.6510]
_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
  Be  Be1  2  0.3333  0.6667  0.7614  1.0
  Tl  Tl2  2  0.3333  0.6667  0.3110  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  F  F4  6  0.1864  0.3728  0.6878  1.0
  F  F5  2  0.3333  0.6667  0.9643  1.0
]