data_[Cs4Sc4C8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9042]
_cell_length_b [9.5397]
_cell_length_c [7.6829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsSc(CO3)2]
_chemical_formula_sum '[Cs4 Sc4 C8 O24]'
_cell_volume [599.8191]
_cell_formula_units_Z [4]
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  4  0.0000  0.1112  0.7500  1.0
  Sc  Sc1  4  0.0000  0.3441  0.2500  1.0
  C  C2  8  0.2061  0.3883  0.6970  1.0
  O  O3  8  0.0947  0.3415  0.5417  1.0
  O  O4  8  0.1572  0.1791  0.2221  1.0
  O  O5  8  0.1822  0.4992  0.2767  1.0
]