data_[Li6Mg3V3F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.1714]
_cell_length_b [5.1714]
_cell_length_c [14.1719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2MgVF6]
_chemical_formula_sum '[Li6 Mg3 V3 F18]'
_cell_volume [328.2262]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0280  1.0
  Li  Li1  3  0.0000  0.0000  0.5256  1.0
  Mg  Mg2  3  0.0000  0.0000  0.3184  1.0
  V  V3  3  0.0000  0.0000  0.8194  1.0
  F  F4  9  0.0092  0.3521  0.5802  1.0
  F  F5  9  0.0325  0.6709  0.0767  1.0
]