# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53306600
_cell_length_b   5.28713300
_cell_length_c   8.21487247
_cell_angle_alpha   67.80137009
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   343.14738255
_cell_formula_units_Z   4
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  0.31115300  0.13111100  0.57468800  1
  Li  Li1  1  0.81115300  0.86888900  0.92531200  1
  Li  Li2  1  0.18884700  0.13111100  0.07468800  1
  Li  Li3  1  0.68884700  0.86888900  0.42531200  1
  Fe  Fe4  1  0.03734500  0.58574900  0.66745600  1
  Fe  Fe5  1  0.53734500  0.41425100  0.83254400  1
  Fe  Fe6  1  0.46265500  0.58574900  0.16745600  1
  Fe  Fe7  1  0.96265500  0.41425100  0.33254400  1
  F  F8  1  0.12123100  0.37080200  0.52116300  1
  F  F9  1  0.22291700  0.78072300  0.63383900  1
  F  F10  1  0.56128200  0.71555200  0.62648400  1
  F  F11  1  0.41093800  0.18372800  0.76394900  1
  F  F12  1  0.91093800  0.81627200  0.73605100  1
  F  F13  1  0.06128200  0.28444800  0.87351600  1
  F  F14  1  0.72291700  0.21927700  0.86616100  1
  F  F15  1  0.37876900  0.37080200  0.02116300  1
  F  F16  1  0.62123100  0.62919800  0.97883700  1
  F  F17  1  0.27708300  0.78072300  0.13383900  1
  F  F18  1  0.93871800  0.71555200  0.12648400  1
  F  F19  1  0.08906200  0.18372800  0.26394900  1
  F  F20  1  0.58906200  0.81627200  0.23605100  1
  F  F21  1  0.43871800  0.28444800  0.37351600  1
  F  F22  1  0.77708300  0.21927700  0.36616100  1
  F  F23  1  0.87876900  0.62919800  0.47883700  1
