data_[Na6P2O8]
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 [Pmn2_1]
_cell_length_a [6.8893]
_cell_length_b [5.9477]
_cell_length_c [5.5175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na3PO4]
_chemical_formula_sum '[Na6 P2 O8]'
_cell_volume [226.0802]
_cell_formula_units_Z [2]
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  0.2442  0.6785  0.4942  1.0
  Na  Na1  2  0.0000  0.8571  0.9916  1.0
  P  P2  2  0.0000  0.1824  0.5011  1.0
  O  O3  4  0.1865  0.3045  0.4057  1.0
  O  O4  2  0.0000  0.1897  0.7834  1.0
  O  O5  2  0.0000  0.9324  0.4125  1.0
]