data_[Li8V4F28]
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 [Pnma]
_cell_length_a [6.9735]
_cell_length_b [7.0480]
_cell_length_c [10.1983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li2VF7]
_chemical_formula_sum '[Li8 V4 F28]'
_cell_volume [501.2373]
_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  4  0.1308  0.2500  0.7489  1
  Li  Li1  4  0.1691  0.7500  0.0008  1
  V  V2  4  0.1948  0.7500  0.5586  1
  F  F3  8  0.1289  0.5699  0.6733  1
  F  F4  8  0.2361  0.0676  0.9394  1
  F  F5  4  0.0463  0.2500  0.5140  1
  F  F6  4  0.0570  0.2500  0.1138  1
  F  F7  4  0.1169  0.7500  0.1774  1
]