data_[Li1V1F4]
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 [P2/m]
_cell_length_a [4.9416]
_cell_length_b [3.1307]
_cell_length_c [5.4436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiVF4]
_chemical_formula_sum '[Li1 V1 F4]'
_cell_volume [77.7625]
_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  0.0000  0.5000  0.5000  1.0
  V  V1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1922  0.0000  0.7522  1.0
  F  F3  2  0.2263  0.5000  0.2198  1.0
]