data_[Na4Sc2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3298]
_cell_length_b [3.7087]
_cell_length_c [7.2239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.5690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2ScCl4]
_chemical_formula_sum '[Na4 Sc2 Cl8]'
_cell_volume [337.1700]
_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
[
  Na  Na0  4  0.2136  0.5000  0.7013  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  4  0.1124  0.0000  0.3976  1.0
  Cl  Cl3  4  0.1320  0.5000  0.9895  1.0
]