data_[Al1Si4H1O10]
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 [P1]
_cell_length_a [5.0031]
_cell_length_b [5.9768]
_cell_length_c [7.6037]
_cell_angle_alpha [112.8244]
_cell_angle_beta [93.2986]
_cell_angle_gamma [90.1057]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlSi4HO10]
_chemical_formula_sum '[Al1 Si4 H1 O10]'
_cell_volume [209.1487]
_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  0.2690  0.4654  0.9795  1.0
  Si  Si1  1  0.0092  0.2597  0.2654  1.0
  Si  Si2  1  0.5015  0.9870  0.7122  1.0
  Si  Si3  1  0.5205  0.9770  0.2962  1.0
  Si  Si4  1  0.9876  0.6687  0.6755  1.0
  H  H5  1  0.8055  0.3095  0.9993  1.0
  O  O6  1  0.0986  0.5195  0.7975  1.0
  O  O7  1  0.1936  0.8878  0.6881  1.0
  O  O8  1  0.3158  0.1855  0.2829  1.0
  O  O9  1  0.4086  0.7084  0.1714  1.0
  O  O10  1  0.5247  0.2486  0.8966  1.0
  O  O11  1  0.5789  0.0243  0.5207  1.0
  O  O12  1  0.7043  0.7960  0.7516  1.0
  O  O13  1  0.8027  0.0326  0.2185  1.0
  O  O14  1  0.9314  0.4927  0.4488  1.0
  O  O15  1  0.9942  0.3370  0.0727  1.0
]