data_[Cs1K2Tl1Cl4]
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/m]
_cell_length_a [8.0474]
_cell_length_b [4.6456]
_cell_length_c [8.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsK2TlCl4]
_chemical_formula_sum '[Cs1 K2 Tl1 Cl4]'
_cell_volume [285.7044]
_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  0.5000  0.5000  0.0000  1.0
  K  K1  1  0.0000  0.5000  0.5000  1.0
  K  K2  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl3  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  2  0.2333  0.0000  0.7299  1.0
  Cl  Cl5  2  0.2462  0.5000  0.2640  1.0
]