data_[Li2V1Cr1F6]
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
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1848]
_cell_length_b [5.2993]
_cell_length_c [5.5260]
_cell_angle_alpha [115.0220]
_cell_angle_beta [90.0344]
_cell_angle_gamma [118.2339]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2VCrF6]
_chemical_formula_sum '[Li2 V1 Cr1 F6]'
_cell_volume [117.3219]
_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  0.0320  0.0917  0.0947  1.0
  Li  Li1  1  0.5500  0.0739  0.5834  1.0
  V  V2  1  0.8206  0.6388  0.4588  1.0
  Cr  Cr3  1  0.3184  0.6390  0.9509  1.0
  F  F4  1  0.0927  0.8185  0.2122  1.0
  F  F5  1  0.2347  0.8161  0.7185  1.0
  F  F6  1  0.4077  0.5023  0.2214  1.0
  F  F7  1  0.5737  0.4847  0.7238  1.0
  F  F8  1  0.7400  0.1581  0.2728  1.0
  F  F9  1  0.8918  0.1001  0.7483  1.0
]