# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59727763
_cell_length_b   5.59727763
_cell_length_c   5.47468083
_cell_angle_alpha   60.96272563
_cell_angle_beta   60.96272563
_cell_angle_gamma   31.92881201
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li1 Fe1 F4'
_cell_volume   78.30197718
_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  0.50000000  0.50000000  0.50000000  1
  Fe  Fe1  1  0.00000000  0.00000000  0.00000000  1
  F  F2  1  0.61641100  0.61641100  0.75490000  1
  F  F3  1  0.91007400  0.91007400  0.77675600  1
  F  F4  1  0.38358900  0.38358900  0.24510000  1
  F  F5  1  0.08992600  0.08992600  0.22324400  1
