data_Al2Si4O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   26.88
_cell_angle_alpha   94.62
_cell_angle_beta   91.76
_cell_angle_gamma   61.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Si4O11
_chemical_formula_sum   'Al2 Si4 O11'
_cell_volume   646.6
_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  0.31  0.81  0.13  1.0
  Al  Al1  1  0.69  0.19  0.13  1.0
  Si  Si13  1  0.98  0.83  0.02  1.0
  Si  Si14  1  0.02  0.17  0.23  1.0
  Si  Si15  1  0.63  0.48  0.02  1.0
  Si  Si16  1  0.37  0.52  0.23  1.0
  O  O2  1  0.5  0.0  0.13  1.0
  O  O3  1  0.01  0.91  0.08  1.0
  O  O4  1  0.99  0.09  0.17  1.0
  O  O5  1  0.57  0.47  0.08  1.0
  O  O6  1  0.43  0.53  0.17  1.0
  O  O7  1  0.78  0.14  1.0  1.0
  O  O8  1  0.31  0.67  1.0  1.0
  O  O9  1  0.84  0.62  0.01  1.0
  O  O10  1  0.22  0.86  0.25  1.0
  O  O11  1  0.69  0.33  0.25  1.0
  O  O12  1  0.16  0.38  0.24  1.0

Al Al Si Si Si Si O O O O O O O O O O O 0 10 o o o 0 7 o o o 0 8 - + o 0 9 o o o 0 6 o + o 1 6 o o o 1 10 o o o 1 7 + - o 1 8 o o o 1 9 o o o 2 13 o o o 2 11 o + - 2 12 + o - 2 7 + o o 3 8 - o o 3 15 - o o 3 14 o - o 3 16 o o o 4 11 o o - 4 9 o o o 4 12 o o - 4 13 o o o 5 16 o o o 5 15 o o o 5 10 o o o 5 14 o o o 
data_Al2Si4O11
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   26.88
_cell_angle_alpha   88.24
_cell_angle_beta   85.38
_cell_angle_gamma   61.39
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Si4O11
_chemical_formula_sum   'Al2 Si4 O11'
_cell_volume   646.6
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.19  0.69  0.5  1.0
  Si  Si1  2  0.17  0.02  0.4  1.0
  Si  Si2  2  0.48  0.63  0.6  1.0
  O  O3  2  0.09  0.99  0.46  1.0
  O  O4  2  0.14  0.78  0.63  1.0
  O  O5  2  0.33  0.69  0.37  1.0
  O  O6  2  0.38  0.16  0.39  1.0
  O  O7  2  0.47  0.57  0.54  1.0
  O  O8  1  0.0  0.5  0.5  1.0
