data_[Sr9Li3Al24]
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 [R3m]
_cell_length_a [5.8071]
_cell_length_b [5.8071]
_cell_length_c [27.8595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sr3LiAl8]
_chemical_formula_sum '[Sr9 Li3 Al24]'
_cell_volume [813.6143]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0037  1.0
  Sr  Sr1  3  0.0000  0.0000  0.4982  1.0
  Sr  Sr2  3  0.0000  0.0000  0.6240  1.0
  Li  Li3  3  0.0000  0.0000  0.1268  1.0
  Al  Al4  9  0.0022  0.5011  0.0636  1.0
  Al  Al5  9  0.1685  0.3371  0.8939  1.0
  Al  Al6  3  0.0000  0.0000  0.3116  1.0
  Al  Al7  3  0.0000  0.0000  0.8133  1.0
]