data_[Cs4Tl2Sb2I12]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7743]
_cell_length_b [9.0617]
_cell_length_c [15.6659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3827]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2TlSbI6]
_chemical_formula_sum '[Cs4 Tl2 Sb2 I12]'
_cell_volume [1040.0941]
_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  0.2738  0.5706  0.7491  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1339  0.5128  0.2253  1.0
  I  I4  4  0.2199  0.2174  0.0379  1.0
  I  I5  4  0.3252  0.6843  0.0400  1.0
]