# generated using pymatgen
data_LiF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06093977
_cell_length_b   3.06093977
_cell_length_c   4.80732457
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999816
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiF
_chemical_formula_sum   'Li2 F2'
_cell_volume   39.00709914
_cell_formula_units_Z   2
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  0.66666700  0.33333300  0.88115426  1
  Li  Li1  1  0.33333300  0.66666700  0.38115426  1
  F  F2  1  0.66666700  0.33333300  0.49384374  1
  F  F3  1  0.33333300  0.66666700  0.99384374  1
