data_[Cs2Tl1In1I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [9.1526]
_cell_length_b [5.2953]
_cell_length_c [9.1746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2TlInI4]
_chemical_formula_sum '[Cs2 Tl1 In1 I4]'
_cell_volume [419.1649]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Cs  Cs1  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  In  In3  1  0.0000  0.0000  0.0000  1.0
  I  I4  2  0.2394  0.5000  0.2231  1.0
  I  I5  2  0.2575  0.0000  0.7764  1.0
]