data_Li5VF8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5VF8
_chemical_formula_sum   'Li5 V1 F8'
_cell_volume   148.4
_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  0.46  0.86  0.36  1.0
  Li  Li1  1  0.46  0.86  0.6  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Li  Li3  1  0.46  0.14  0.36  1.0
  Li  Li4  1  0.46  0.14  0.6  1.0
  V  V5  1  0.0  0.0  0.98  1.0
  F  F6  1  0.91  0.74  0.98  1.0
  F  F7  1  0.91  0.7  0.0  1.0
  F  F8  1  0.5  0.0  0.55  1.0
  F  F9  1  0.5  0.0  0.41  1.0
  F  F10  1  0.32  0.0  0.55  1.0
  F  F11  1  0.32  0.0  0.41  1.0
  F  F12  1  0.91  0.3  0.0  1.0
  F  F13  1  0.91  0.26  0.98  1.0

data_Li5VF8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5VF8
_chemical_formula_sum   'Li5 V1 F8'
_cell_volume   148.4
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.46  0.86  0.36  1.0
  Li  Li2  1  0.46  0.86  0.6  1.0
  Li  Li3  1  0.46  0.14  0.36  1.0
  Li  Li4  1  0.46  0.14  0.6  1.0
  V  V5  1  0.0  0.0  0.98  1.0
  F  F6  1  0.32  0.0  0.41  1.0
  F  F7  1  0.32  0.0  0.55  1.0
  F  F8  1  0.5  0.0  0.41  1.0
  F  F9  1  0.5  0.0  0.55  1.0
  F  F10  1  0.91  0.26  0.98  1.0
  F  F11  1  0.91  0.3  -0.0  1.0
  F  F12  1  0.91  0.7  -0.0  1.0
  F  F13  1  0.91  0.74  0.98  1.0

Li Li Li Li Li V F F F F F F F F