data_[Cs4Sr2Tl4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8074]
_cell_length_b [5.1247]
_cell_length_c [8.3604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sr(TlSe2)2]
_chemical_formula_sum '[Cs4 Sr2 Tl4 Se8]'
_cell_volume [686.0455]
_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  0.1281  0.0000  0.5622  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1689  0.5000  0.0229  1.0
  Se  Se3  4  0.0180  0.5000  0.7681  1.0
  Se  Se4  4  0.2009  0.0000  0.1724  1.0
]