data_[Li15H12F3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.8441]
_cell_length_b [2.8441]
_cell_length_c [34.8822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li5H4F]
_chemical_formula_sum '[Li15 H12 F3]'
_cell_volume [244.3523]
_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  6  0.0000  0.0000  0.2003  1.0
  Li  Li1  6  0.0000  0.0000  0.3993  1.0
  Li  Li2  3  0.0000  0.0000  0.0000  1.0
  H  H3  6  0.0000  0.0000  0.0990  1.0
  H  H4  6  0.0000  0.0000  0.3003  1.0
  F  F5  3  -0.0000  -0.0000  0.5000  1.0
]