data_[Cs9Pa9Sb3Te24]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9639]
_cell_length_b [8.9639]
_cell_length_c [27.5610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Pa3SbTe8]
_chemical_formula_sum '[Cs9 Pa9 Sb3 Te24]'
_cell_volume [1917.8705]
_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  9  0.0000  0.5000  0.0000  1
  Pa  Pa1  9  0.0000  0.5000  0.5000  1
  Sb  Sb2  3  0.0000  0.0000  0.5000  1
  Te  Te3  18  0.0007  0.5004  0.7700  1
  Te  Te4  6  0.0000  0.0000  0.2314  1
]