data_[Na1Li1Sc2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2/m]
_cell_length_a [6.3162]
_cell_length_b [7.6310]
_cell_length_c [6.3903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaLiSc2Cl8]
_chemical_formula_sum '[Na1 Li1 Sc2 Cl8]'
_cell_volume [305.9736]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  2  0.5000  0.2461  0.5000  1.0
  Cl  Cl3  4  0.2167  0.2349  0.2026  1.0
  Cl  Cl4  2  0.3114  0.0000  0.6729  1.0
  Cl  Cl5  2  0.3162  0.5000  0.6683  1.0
]