data_[Na4V12O30]
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 [C2/m]
_cell_length_a [15.9115]
_cell_length_b [3.6440]
_cell_length_c [10.4847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2V6O15]
_chemical_formula_sum '[Na4 V12 O30]'
_cell_volume [590.9154]
_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  0.0471  0.5000  0.3431  1
  V  V1  4  0.1101  0.0000  0.1005  1
  V  V2  4  0.1764  0.5000  0.9018  1
  V  V3  4  0.2205  0.5000  0.5991  1
  O  O4  4  0.0819  0.5000  0.8029  1
  O  O5  4  0.0976  0.0000  0.2533  1
  O  O6  4  0.1149  0.5000  0.5579  1
  O  O7  4  0.1323  0.5000  0.0735  1
  O  O8  4  0.1921  0.0000  0.9576  1
  O  O9  4  0.2446  0.5000  0.7806  1
  O  O10  4  0.2465  0.5000  0.4216  1
  O  O11  2  0.0000  0.0000  0.0000  1
]