data_[Cs4Tl12In2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3961]
_cell_length_b [7.0877]
_cell_length_c [7.2322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tl6In]
_chemical_formula_sum '[Cs4 Tl12 In2]'
_cell_volume [685.5835]
_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  0.1716  0.5000  0.1343  1.0
  Tl  Tl1  8  0.0785  0.2622  0.6648  1.0
  Tl  Tl2  4  0.1771  0.0000  0.3585  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
]