data_[Sr2Li18Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5367]
_cell_length_b [13.6326]
_cell_length_c [7.4509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(Li3Al)3]
_chemical_formula_sum '[Sr2 Li18 Al6]'
_cell_volume [526.7458]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Li  Li1  8  0.1207  0.3833  0.2311  1
  Li  Li2  8  0.1531  0.8216  0.3434  1
  Li  Li3  2  0.0000  0.5000  0.5000  1
  Al  Al4  4  0.2500  0.2500  0.0000  1
  Al  Al5  2  0.0000  0.0000  0.5000  1
]