data_[Cs1Ta1Tl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0212]
_cell_length_b [8.6165]
_cell_length_c [6.6566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTaTl2F8]
_chemical_formula_sum '[Cs1 Ta1 Tl2 F8]'
_cell_volume [286.8023]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1.0
  Ta  Ta1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.5000  0.2716  0.5000  1.0
  F  F3  4  0.1180  0.1617  0.8260  1.0
  F  F4  2  0.3370  0.0000  0.1624  1.0
  F  F5  2  0.4902  0.5000  0.7243  1.0
]