data_[Li2Sc12Al10]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8094]
_cell_length_b [14.4365]
_cell_length_c [6.7352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiSc6Al5]
_chemical_formula_sum '[Li2 Sc12 Al10]'
_cell_volume [467.6353]
_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  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  8  0.0000  0.1665  0.2474  1
  Sc  Sc2  4  0.0000  0.5000  0.2490  1
  Al  Al3  4  0.0000  0.3331  0.5000  1
  Al  Al4  4  0.0000  0.3376  0.0000  1
  Al  Al5  2  0.0000  0.0000  0.5000  1
]