data_[Li4Sc4Cl16]
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/c]
_cell_length_a [7.4531]
_cell_length_b [16.3046]
_cell_length_c [6.3103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiScCl4]
_chemical_formula_sum '[Li4 Sc4 Cl16]'
_cell_volume [625.7417]
_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
[
  Li  Li0  4  0.0000  0.4160  0.7500  1.0
  Sc  Sc1  4  0.0000  0.0753  0.2500  1.0
  Cl  Cl2  8  0.2378  0.9557  0.2355  1.0
  Cl  Cl3  8  0.2445  0.1696  0.2572  1.0
]