data_[Cs4Li4Sc4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0725]
_cell_length_b [12.1227]
_cell_length_c [9.7636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLiScCl5]
_chemical_formula_sum '[Cs4 Li4 Sc4 Cl20]'
_cell_volume [984.0382]
_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  0.3375  0.2500  1
  Li  Li1  4  0.0000  0.3051  0.7500  1
  Sc  Sc2  4  0.0000  0.0000  0.0000  1
  Cl  Cl3  8  0.0895  0.1910  0.5948  1
  Cl  Cl4  8  0.2159  0.4319  0.9138  1
  Cl  Cl5  4  0.0000  0.0555  0.2500  1
]