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 [Pm]
_cell_length_a [5.5191]
_cell_length_b [6.9441]
_cell_length_c [5.8641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na3PO4]
_chemical_formula_sum '[Na6 P2 O8]'
_cell_volume [224.7142]
_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  2  0.0006  0.2536  0.5644  1.0
  Na  Na1  2  0.4911  0.2470  0.9425  1.0
  Na  Na2  1  0.4997  0.5000  0.4167  1.0
  Na  Na3  1  0.9848  0.0000  0.0884  1.0
  P  P4  1  0.5033  0.0000  0.4351  1.0
  P  P5  1  0.9977  0.5000  0.0706  1.0
  O  O6  2  0.4169  0.1852  0.5624  1.0
  O  O7  2  0.9056  0.3158  0.9414  1.0
  O  O8  1  0.2800  0.5000  0.0789  1.0
  O  O9  1  0.3968  0.0000  0.1861  1.0
  O  O10  1  0.7861  0.0000  0.4261  1.0
  O  O11  1  0.8999  0.5000  0.3192  1.0
]