data_[Cs2Tl4In6Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.0378]
_cell_length_b [4.8398]
_cell_length_c [9.6953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl2(InBr2)3]
_chemical_formula_sum '[Cs2 Tl4 In6 Br12]'
_cell_volume [963.0589]
_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  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  4  0.1685  0.0000  0.3400  1.0
  In  In2  4  0.1684  0.0000  0.8301  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Br  Br4  4  0.0042  0.0000  0.2707  1.0
  Br  Br5  4  0.1679  0.5000  0.5900  1.0
  Br  Br6  4  0.1765  0.5000  0.0926  1.0
]