data_[Na4V8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [3.0362]
_cell_length_b [9.2006]
_cell_length_c [10.6947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaV2O4]
_chemical_formula_sum '[Na4 V8 O16]'
_cell_volume [298.7578]
_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  2  0.0000  0.4935  0.1496  1
  Na  Na1  2  0.0000  0.9966  0.3468  1
  V  V2  2  0.0000  0.3228  0.3889  1
  V  V3  2  0.0000  0.3276  0.8944  1
  V  V4  2  0.0000  0.8152  0.1082  1
  V  V5  2  0.0000  0.8285  0.6063  1
  O  O6  2  0.0000  0.0490  0.6496  1
  O  O7  2  0.0000  0.1407  0.9759  1
  O  O8  2  0.0000  0.2317  0.2211  1
  O  O9  2  0.0000  0.3251  0.5777  1
  O  O10  2  0.0000  0.5303  0.8506  1
  O  O11  2  0.0000  0.6349  0.5135  1
  O  O12  2  0.0000  0.7323  0.2821  1
  O  O13  2  0.0000  0.8259  0.9357  1
]