data_[Sr1Li2Tl1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6610]
_cell_length_b [4.8211]
_cell_length_c [7.6175]
_cell_angle_alpha [91.1121]
_cell_angle_beta [90.9431]
_cell_angle_gamma [93.5467]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrLi2TlF8]
_chemical_formula_sum '[Sr1 Li2 Tl1 F8]'
_cell_volume [170.7872]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.4902  0.5152  0.1929  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1708  0.2363  0.7725  1.0
  F  F4  2  0.1931  0.2286  0.2373  1.0
  F  F5  2  0.3373  0.7128  0.9957  1.0
  F  F6  2  0.4246  0.6812  0.4624  1.0
]