data_[Na4P2O7]
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 [P-3m1]
_cell_length_a [5.4514]
_cell_length_b [5.4514]
_cell_length_c [6.8216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Na4P2O7]
_chemical_formula_sum '[Na4 P2 O7]'
_cell_volume [175.5628]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.0348  1
  Na  Na1  2  0.3333  0.6667  0.5821  1
  P  P2  2  0.0000  0.0000  0.2605  1
  O  O3  6  0.1563  0.3126  0.7936  1
  O  O4  1  0.0000  0.0000  0.5000  1
]