data_[Cs6Pa9Tl3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5355]
_cell_length_b [8.5355]
_cell_length_c [26.3849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cs2Pa3TlSe8]
_chemical_formula_sum '[Cs6 Pa9 Tl3 Se24]'
_cell_volume [1664.7391]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.5032  1
  Cs  Cs1  3  0.0000  0.0000  0.8616  1
  Pa  Pa2  9  0.0003  0.5002  0.0016  1
  Tl  Tl3  3  0.0000  0.0000  0.1164  1
  Se  Se4  9  0.0279  0.5139  0.2787  1
  Se  Se5  9  0.1796  0.3592  0.0605  1
  Se  Se6  3  0.0000  0.0000  0.2770  1
  Se  Se7  3  0.0000  0.0000  0.7266  1
]