data_[Cs2Ta2Tl2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4631]
_cell_length_b [7.7924]
_cell_length_c [10.3768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTaTlSe4]
_chemical_formula_sum '[Cs2 Ta2 Tl2 Se8]'
_cell_volume [499.4358]
_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  0.2156  0.2500  0.8961  1.0
  Ta  Ta1  2  0.1417  0.2500  0.2946  1.0
  Tl  Tl2  2  0.3542  0.7500  0.4985  1.0
  Se  Se3  4  0.3521  0.5017  0.2695  1.0
  Se  Se4  2  0.0984  0.2500  0.5184  1.0
  Se  Se5  2  0.1935  0.7500  0.8773  1.0
]