data_[Cs9Th9Co3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4890]
_cell_length_b [8.4890]
_cell_length_c [25.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3Th3CoSe8]
_chemical_formula_sum '[Cs9 Th9 Co3 Se24]'
_cell_volume [1605.2377]
_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
  Th  Th1  9  0.0000  0.5000  0.5000  1
  Co  Co2  3  0.0000  0.0000  0.5000  1
  Se  Se3  18  0.0101  0.5051  0.2255  1
  Se  Se4  6  0.0000  0.0000  0.2320  1
]