data_[Na8Mg24Si32H8O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  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 [C2/c]
_cell_length_a [9.8511]
_cell_length_b [18.1411]
_cell_length_c [10.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMg3Si4HO12]
_chemical_formula_sum '[Na8 Mg24 Si32 H8 O96]'
_cell_volume [1881.4264]
_cell_formula_units_Z [8]
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
[
  Na  Na0  4  0.0000  0.2709  0.2500  1
  Na  Na1  4  0.0000  0.5000  0.0000  1
  Mg  Mg2  8  0.0002  0.1800  0.4956  1
  Mg  Mg3  4  0.0000  0.0000  0.0000  1
  Mg  Mg4  4  0.0000  0.0878  0.7500  1
  Mg  Mg5  4  0.0000  0.0902  0.2500  1
  Mg  Mg6  4  0.0000  0.2551  0.7500  1
  Si  Si7  8  0.2071  0.3301  0.6130  1
  Si  Si8  8  0.2141  0.3272  0.1123  1
  Si  Si9  8  0.2210  0.5860  0.8652  1
  Si  Si10  8  0.2217  0.4147  0.8661  1
  H  H11  8  0.2064  0.0009  0.8750  1
  O  O12  8  0.1063  0.0007  0.8521  1
  O  O13  8  0.1110  0.0865  0.1054  1
  O  O14  8  0.1115  0.0871  0.6029  1
  O  O15  8  0.1155  0.1735  0.8549  1
  O  O16  8  0.1200  0.7455  0.1122  1
  O  O17  8  0.1253  0.8298  0.8617  1
  O  O18  8  0.1392  0.2495  0.1027  1
  O  O19  8  0.1503  0.6219  0.9784  1
  O  O20  8  0.1510  0.3762  0.7299  1
  O  O21  8  0.1587  0.3794  0.9829  1
  O  O22  8  0.1589  0.3764  0.2268  1
  O  O23  8  0.1605  0.4997  0.3592  1
]