data_[Li9V3F21]
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 [R3m]
_cell_length_a [6.1348]
_cell_length_b [6.1348]
_cell_length_c [13.6132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3VF7]
_chemical_formula_sum '[Li9 V3 F21]'
_cell_volume [443.6970]
_cell_formula_units_Z [3]
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  9  0.1723  0.3446  0.4501  1.0
  V  V1  3  0.0000  0.0000  0.9997  1.0
  F  F2  9  0.0320  0.5160  0.7480  1.0
  F  F3  9  0.1877  0.3754  0.5927  1.0
  F  F4  3  0.0000  0.0000  0.7514  1.0
]