data_[Li4V4O4F16]
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
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6216]
_cell_length_b [10.2146]
_cell_length_c [10.2456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiVOF4]
_chemical_formula_sum '[Li4 V4 O4 F16]'
_cell_volume [379.0221]
_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  0.0000  0.1165  0.4389  1.0
  V  V1  4  0.0000  0.1902  0.7482  1.0
  O  O2  4  0.0000  0.3009  0.2612  1.0
  F  F3  4  0.0000  0.0555  0.8684  1.0
  F  F4  4  0.0000  0.0643  0.6212  1.0
  F  F5  4  0.0000  0.3076  0.6172  1.0
  F  F6  4  0.0000  0.3226  0.8836  1.0
]