data_[Cs6Sc4Cl14]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2441]
_cell_length_b [27.6904]
_cell_length_c [5.1528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cs3Sc2Cl7]
_chemical_formula_sum '[Cs6 Sc4 Cl14]'
_cell_volume [748.2567]
_cell_formula_units_Z [2]
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  0.3170  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Sc  Sc2  4  0.0000  0.0948  0.0000  1
  Cl  Cl3  4  0.0000  0.0942  0.5000  1
  Cl  Cl4  4  0.0000  0.1892  0.0000  1
  Cl  Cl5  4  0.0000  0.4061  0.0000  1
  Cl  Cl6  2  0.0000  0.0000  0.0000  1
]