data_[Na4V4P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4140]
_cell_length_b [8.7014]
_cell_length_c [6.8567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaVPO4]
_chemical_formula_sum '[Na4 V4 P4 O16]'
_cell_volume [323.0122]
_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  0.1850  0.7500  1.0
  V  V1  4  0.0000  0.5000  0.0000  1.0
  P  P2  4  0.0000  0.1585  0.2500  1.0
  O  O3  8  0.0000  0.2593  0.0669  1.0
  O  O4  8  0.2359  0.0506  0.2500  1.0
]