data_[Li2V1Fe1F6]
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
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2319]
_cell_length_b [5.2531]
_cell_length_c [5.6330]
_cell_angle_alpha [91.3181]
_cell_angle_beta [116.5604]
_cell_angle_gamma [119.7101]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2VFeF6]
_chemical_formula_sum '[Li2 V1 Fe1 F6]'
_cell_volume [114.1559]
_cell_formula_units_Z [1]
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  1  0.0517  0.5158  0.5816  1
  Li  Li1  1  0.0540  0.0258  0.0692  1
  V  V2  1  0.6396  0.3203  0.9581  1
  Fe  Fe3  1  0.6353  0.8171  0.4512  1
  F  F4  1  0.1312  0.4093  0.2397  1
  F  F5  1  0.1353  0.2248  0.7436  1
  F  F6  1  0.5083  0.9036  0.7290  1
  F  F7  1  0.5135  0.1046  0.2383  1
  F  F8  1  0.8238  0.7345  0.2350  1
  F  F9  1  0.8304  0.6058  0.7391  1
]