data_[Cs2Tl4Se2I2]
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
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3449]
_cell_length_b [4.4769]
_cell_length_c [10.4600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTl2SeI]
_chemical_formula_sum '[Cs2 Tl4 Se2 I2]'
_cell_volume [437.1624]
_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  0.2255  0.7500  0.0031  1
  Tl  Tl1  2  0.0991  0.2500  0.6294  1
  Tl  Tl2  2  0.2843  0.7500  0.3985  1
  Se  Se3  2  0.0893  0.2500  0.2594  1
  I  I4  2  0.4326  0.2500  0.7827  1
]