data_[Cs2Tl4I2F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9835]
_cell_length_b [6.6691]
_cell_length_c [8.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1230]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTl2IF2]
_chemical_formula_sum '[Cs2 Tl4 I2 F4]'
_cell_volume [428.9551]
_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
[
  Cs  Cs0  2  0.1756  0.2500  0.9445  1.0
  Tl  Tl1  2  0.0997  0.2500  0.4273  1.0
  Tl  Tl2  2  0.3702  0.7500  0.3168  1.0
  I  I3  2  0.3417  0.7500  0.7246  1.0
  F  F4  4  0.1329  0.5033  0.2262  1.0
]