data_[Li4Sc2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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/m]
_cell_length_a [13.9584]
_cell_length_b [3.5445]
_cell_length_c [6.4602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2ScCl4]
_chemical_formula_sum '[Li4 Sc2 Cl8]'
_cell_volume [283.7304]
_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
[
  Li  Li0  4  0.2269  0.5000  0.7045  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  4  0.1269  0.0000  0.4382  1.0
  Cl  Cl3  4  0.1338  0.5000  0.9710  1.0
]