data_[Al8Si3O18]
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 [Pm]
_cell_length_a [8.2587]
_cell_length_b [2.9273]
_cell_length_c [13.6734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al8(SiO6)3]
_chemical_formula_sum '[Al8 Si3 O18]'
_cell_volume [324.4184]
_cell_formula_units_Z [1]
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  1  0.2115  0.5000  0.6137  1
  Al  Al1  1  0.2972  0.5000  0.3874  1
  Al  Al2  1  0.4851  0.0000  0.7763  1
  Al  Al3  1  0.5107  0.0000  0.2519  1
  Al  Al4  1  0.7919  0.5000  0.7354  1
  Al  Al5  1  0.8787  0.5000  0.3404  1
  Al  Al6  1  0.8910  0.0000  0.5524  1
  Al  Al7  1  0.9762  0.0000  0.9305  1
  Si  Si8  1  0.1496  0.5000  0.1775  1
  Si  Si9  1  0.3182  0.5000  0.9226  1
  Si  Si10  1  0.6603  0.5000  0.9995  1
  O  O11  1  0.0791  0.5000  0.2872  1
  O  O12  1  0.0923  0.0000  0.1272  1
  O  O13  1  0.0931  0.0000  0.6221  1
  O  O14  1  0.1345  0.5000  0.9529  1
  O  O15  1  0.2155  0.5000  0.4885  1
  O  O16  1  0.3099  0.0000  0.8582  1
  O  O17  1  0.3549  0.5000  0.2047  1
  O  O18  1  0.3793  0.5000  0.7080  1
  O  O19  1  0.4078  0.0000  0.3637  1
  O  O20  1  0.4547  0.5000  0.0236  1
  O  O21  1  0.5686  0.5000  0.8723  1
  O  O22  1  0.6514  0.0000  0.7112  1
  O  O23  1  0.6619  0.5000  0.2729  1
  O  O24  1  0.6996  0.0000  0.0614  1
  O  O25  1  0.8092  0.5000  0.5891  1
  O  O26  1  0.8572  0.5000  0.9662  1
  O  O27  1  0.8836  0.0000  0.4145  1
  O  O28  1  0.9269  0.0000  0.7967  1
]