data_[Na4Al4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [12.8077]
_cell_length_b [8.0829]
_cell_length_c [8.4605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [NaAl(PO3)4]
_chemical_formula_sum '[Na4 Al4 P16 O48]'
_cell_volume [875.8541]
_cell_formula_units_Z [4]
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  0.0301  0.7500  1
  Al  Al1  4  0.0000  0.3598  0.2500  1
  P  P2  8  0.1466  0.4428  0.5201  1
  P  P3  8  0.1540  0.1968  0.0024  1
  O  O4  8  0.0626  0.4638  0.6414  1
  O  O5  8  0.0633  0.1984  0.1174  1
  O  O6  8  0.1183  0.3401  0.3791  1
  O  O7  8  0.1441  0.1010  0.8552  1
  O  O8  8  0.1877  0.3824  0.9616  1
  O  O9  8  0.2458  0.3636  0.6037  1
]