data_[Al4Si8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6072]
_cell_length_b [8.5241]
_cell_length_c [5.3215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2347]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al(SiO3)2]
_chemical_formula_sum '[Al4 Si8 O24]'
_cell_volume [408.8925]
_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
[
  Al  Al0  4  0.0000  0.0871  0.7500  1
  Si  Si1  8  0.2053  0.4123  0.7545  1
  O  O2  8  0.1121  0.0711  0.1312  1
  O  O3  8  0.1388  0.2360  0.7307  1
  O  O4  8  0.1418  0.4885  0.4549  1
]