data_[Al4Si4H8O18]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.2716]
_cell_length_b [9.0544]
_cell_length_c [7.2966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2Si2H4O9]
_chemical_formula_sum '[Al4 Si4 H8 O18]'
_cell_volume [348.2462]
_cell_formula_units_Z [2]
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  0.3337  0.3337  0.5184  1.0
  Si  Si1  4  0.0068  0.3289  0.1441  1.0
  H  H2  4  0.1707  0.1706  0.7730  1.0
  H  H3  2  0.1588  0.5000  0.7715  1.0
  H  H4  2  0.4963  0.5000  0.2476  1.0
  O  O5  4  0.0194  0.3067  0.3632  1.0
  O  O6  4  0.1387  0.1968  0.6464  1.0
  O  O7  4  0.2528  0.2473  0.0505  1.0
  O  O8  2  0.0047  0.5000  0.0708  1.0
  O  O9  2  0.2287  0.5000  0.6500  1.0
  O  O10  2  0.4340  0.5000  0.3711  1.0
]