data_[Na4Sr24Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [11.1266]
_cell_length_b [11.2050]
_cell_length_c [12.3325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na(Sr3Al)2]
_chemical_formula_sum '[Na4 Sr24 Al8]'
_cell_volume [1537.5427]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.5000  1
  Sr  Sr2  8  0.0000  0.3021  0.3170  1
  Sr  Sr3  8  0.1888  0.2795  0.0000  1
  Sr  Sr4  8  0.2183  0.0000  0.2372  1
  Al  Al5  4  0.0000  0.5000  0.1068  1
  Al  Al6  4  0.1241  0.5000  0.5000  1
]