data_[Cs4Tl2As2Cl12]
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
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8538]
_cell_length_b [7.8841]
_cell_length_c [13.6308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0097]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2TlAsCl6]
_chemical_formula_sum '[Cs4 Tl2 As2 Cl12]'
_cell_volume [691.3023]
_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  4  0.2432  0.5308  0.7495  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  As  As2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.1699  0.7444  0.4781  1.0
  Cl  Cl4  4  0.2307  0.1934  0.4763  1.0
  Cl  Cl5  4  0.2677  0.5033  0.2241  1.0
]