data_[Cs2K2Tl2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1175]
_cell_length_b [4.6033]
_cell_length_c [12.2179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsKTlCl3]
_chemical_formula_sum '[Cs2 K2 Tl2 Cl6]'
_cell_volume [445.8383]
_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  0.3430  0.2500  0.2991  1.0
  K  K1  2  0.2336  0.7500  0.9506  1.0
  Tl  Tl2  2  0.1383  0.2500  0.6423  1.0
  Cl  Cl3  2  0.0396  0.7500  0.1506  1.0
  Cl  Cl4  2  0.2601  0.7500  0.5082  1.0
  Cl  Cl5  2  0.4429  0.2500  0.8444  1.0
]