data_[Cs6Tl8In4]
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 [14.8470]
_cell_length_b [4.9497]
_cell_length_c [11.5373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3(Tl2In)2]
_chemical_formula_sum '[Cs6 Tl8 In4]'
_cell_volume [831.5207]
_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  0.1100  0.5000  0.3873  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Tl  Tl2  4  0.1190  0.0000  0.6663  1
  Tl  Tl3  4  0.2082  0.5000  0.0931  1
  In  In4  4  0.1639  0.5000  0.8217  1
]