data_[Na4V12F28]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.8239]
_cell_length_b [7.5145]
_cell_length_c [7.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaV3F7]
_chemical_formula_sum '[Na4 V12 F28]'
_cell_volume [590.4835]
_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  0.5000  0.0000  1
  V  V1  4  0.0000  0.0000  0.0000  1
  V  V2  4  0.2500  0.2500  0.0000  1
  V  V3  4  0.2500  0.2500  0.5000  1
  F  F4  8  0.1071  0.2235  0.0525  1
  F  F5  8  0.1576  0.1803  0.6648  1
  F  F6  8  0.1580  0.4935  0.3952  1
  F  F7  4  0.0000  0.1235  0.2500  1
]