data_[Tl2As2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.0215]
_cell_length_b [4.8369]
_cell_length_c [6.6376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlAsF4]
_chemical_formula_sum '[Tl2 As2 F8]'
_cell_volume [241.9845]
_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
[
  Tl  Tl0  2  0.0000  0.8907  0.0000  1
  As  As1  2  0.0000  0.4057  0.5000  1
  F  F2  4  0.1165  0.4387  0.8138  1
  F  F3  4  0.1530  0.6634  0.4735  1
]