data_[Cs6Tl2In4Cl12]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3443]
_cell_length_b [14.4566]
_cell_length_c [8.2653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Tl(InCl3)2]
_chemical_formula_sum '[Cs6 Tl2 In4 Cl12]'
_cell_volume [939.0130]
_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  0.0000  0.1667  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0000  0.3334  0.0000  1.0
  Cl  Cl4  8  0.2435  0.1674  0.2280  1.0
  Cl  Cl5  4  0.2414  0.5000  0.2285  1.0
]