data_[Cs12Pr3Th9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1397]
_cell_length_b [9.1397]
_cell_length_c [27.3427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4PrTh3Te8]
_chemical_formula_sum '[Cs12 Pr3 Th9 Te24]'
_cell_volume [1978.0349]
_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  0.5000  1
  Cs  Cs1  3  -0.0000  -0.0000  0.5000  1
  Pr  Pr2  3  -0.0000  -0.0000  0.0000  1
  Th  Th3  9  0.0000  0.5000  0.0000  1
  Te  Te4  18  0.0047  0.5024  0.2668  1
  Te  Te5  6  0.0000  0.0000  0.2669  1
]