# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22634292
_cell_length_b   5.22634292
_cell_length_c   12.09469000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001161
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li3 Fe3 F12'
_cell_volume   286.10215291
_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  1  0.00000000  0.42768800  0.16666700  1
  Li  Li1  1  0.57231200  0.57231200  0.50000000  1
  Li  Li2  1  0.42768800  0.00000000  0.83333300  1
  Fe  Fe3  1  0.00000000  0.42782800  0.66666700  1
  Fe  Fe4  1  0.57217200  0.57217200  0.00000000  1
  Fe  Fe5  1  0.42782800  0.00000000  0.33333300  1
  F  F6  1  0.07161300  0.67771800  0.29191900  1
  F  F7  1  0.07063200  0.67174500  0.78734600  1
  F  F8  1  0.32825500  0.39888700  0.12068000  1
  F  F9  1  0.32228200  0.39389500  0.62525200  1
  F  F10  1  0.60610500  0.92838700  0.95858500  1
  F  F11  1  0.60111300  0.92936800  0.45401300  1
  F  F12  1  0.39389500  0.32228200  0.37474800  1
  F  F13  1  0.39888700  0.32825500  0.87932000  1
  F  F14  1  0.92936800  0.60111300  0.54598700  1
  F  F15  1  0.92838700  0.60610500  0.04141500  1
  F  F16  1  0.67771800  0.07161300  0.70808100  1
  F  F17  1  0.67174500  0.07063200  0.21265400  1
