data_[Li16V4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [12.6187]
_cell_length_b [8.7117]
_cell_length_c [5.5088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li4VF7]
_chemical_formula_sum '[Li16 V4 F28]'
_cell_volume [590.7466]
_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
[
  Li  Li0  8  0.1309  0.4404  0.7280  1
  Li  Li1  8  0.1592  0.1025  0.8444  1
  V  V2  4  0.0000  0.2260  0.2500  1
  F  F3  8  0.0924  0.2405  0.5940  1
  F  F4  8  0.1012  0.0908  0.1497  1
  F  F5  8  0.1932  0.4119  0.0615  1
  F  F6  4  0.0000  0.4447  0.2500  1
]