data_[Cs3Sc6Cu3Cl24]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.6365]
_cell_length_b [6.6365]
_cell_length_c [28.8312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsSc2CuCl8]
_chemical_formula_sum '[Cs3 Sc6 Cu3 Cl24]'
_cell_volume [1099.6845]
_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  3  -0.0000  0.0000  0.5000  1
  Sc  Sc1  6  0.0000  0.0000  0.2629  1
  Cu  Cu2  3  0.0000  0.0000  0.0000  1
  Cl  Cl3  18  0.0048  0.3160  0.0517  1
  Cl  Cl4  6  0.0000  0.0000  0.1815  1
]