data_[Na12P12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.0728]
_cell_length_b [6.9235]
_cell_length_c [10.7759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaPO3]
_chemical_formula_sum '[Na12 P12 O36]'
_cell_volume [848.0246]
_cell_formula_units_Z [12]
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  8  0.1017  0.2064  0.4973  1
  Na  Na1  4  0.2500  0.2500  0.0000  1
  P  P2  8  0.1236  0.4445  0.2455  1
  P  P3  4  0.0000  0.1790  0.7500  1
  O  O4  8  0.0625  0.0754  0.8759  1
  O  O5  8  0.0899  0.3278  0.7136  1
  O  O6  8  0.1439  0.3650  0.1267  1
  O  O7  8  0.2107  0.4236  0.3824  1
  O  O8  4  0.0000  0.3545  0.2500  1
]