data_[Al2Si4O11]
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 [P-1]
_cell_length_a [5.2278]
_cell_length_b [5.2333]
_cell_length_c [9.7203]
_cell_angle_alpha [80.9294]
_cell_angle_beta [85.0172]
_cell_angle_gamma [61.2512]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Al2Si4O11]
_chemical_formula_sum '[Al2 Si4 O11]'
_cell_volume [230.2177]
_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  2  0.3136  0.3131  0.0001  1.0
  Si  Si1  2  0.0239  0.7150  0.7120  1.0
  Si  Si2  2  0.3734  0.0660  0.7117  1.0
  O  O3  2  0.0048  0.3812  0.1197  1.0
  O  O4  2  0.1528  0.9462  0.6787  1.0
  O  O5  2  0.2413  0.4123  0.6464  1.0
  O  O6  2  0.3027  0.1309  0.3537  1.0
  O  O7  2  0.4170  0.0414  0.8804  1.0
  O  O8  1  0.5000  0.5000  0.0000  1.0
]