data_[Ba1Tl2W1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5890]
_cell_length_b [6.5259]
_cell_length_c [8.1076]
_cell_angle_alpha [90.1708]
_cell_angle_beta [90.5059]
_cell_angle_gamma [94.3202]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaTl2WF8]
_chemical_formula_sum '[Ba1 Tl2 W1 F8]'
_cell_volume [242.0973]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  2  0.4953  0.5122  0.7535  1.0
  W  W2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0883  0.8114  0.8016  1.0
  F  F4  2  0.1070  0.8215  0.1914  1.0
  F  F5  2  0.3715  0.1772  0.0045  1.0
  F  F6  2  0.4965  0.2366  0.4992  1.0
]