data_[Na16B32O56]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4_1cd]
_cell_length_a [9.8938]
_cell_length_b [9.8938]
_cell_length_c [10.3885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [110]
_chemical_formula_structural [Na2B4O7]
_chemical_formula_sum '[Na16 B32 O56]'
_cell_volume [1016.8981]
_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  16  0.1279  0.1488  0.8673  1
  B  B1  16  0.0479  0.1116  0.5773  1
  B  B2  16  0.0770  0.3326  0.4443  1
  O  O3  16  0.0591  0.3517  0.9216  1
  O  O4  16  0.0704  0.8328  0.6531  1
  O  O5  16  0.1191  0.2186  0.5068  1
  O  O6  8  0.0000  0.0000  0.4951  1
]