data_[Al16Fe24Si24O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [11.5194]
_cell_length_b [11.5194]
_cell_length_c [11.5194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Al2Fe3(SiO4)3]
_chemical_formula_sum '[Al16 Fe24 Si24 O96]'
_cell_volume [1528.5756]
_cell_formula_units_Z [8]
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
[
  Al  Al0  16  0.0000  0.0000  0.0000  1
  Fe  Fe1  24  0.0000  0.2500  0.1250  1
  Si  Si2  24  0.0000  0.2500  0.3750  1
  O  O3  96  0.0340  0.0503  0.6525  1
]