data_[Cs2Tl2Hg2Se4]
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
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.8935]
_cell_length_b [6.0724]
_cell_length_c [8.6964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsTlHgSe2]
_chemical_formula_sum '[Cs2 Tl2 Hg2 Se4]'
_cell_volume [415.8999]
_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  0.5000  0.2336  0.7500  1.0
  Tl  Tl1  2  0.0000  0.4529  0.7500  1.0
  Hg  Hg2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.2399  0.2362  0.0989  1.0
]