# generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38347300
_cell_length_b   7.98508700
_cell_length_c   9.17738800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF5
_chemical_formula_sum   'Li4 Fe4 F20'
_cell_volume   394.51296910
_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  0.75000000  0.69949200  0.01901200  1
  Li  Li1  1  0.25000000  0.19949200  0.48098800  1
  Li  Li2  1  0.75000000  0.80050800  0.51901200  1
  Li  Li3  1  0.25000000  0.30050800  0.98098800  1
  Fe  Fe4  1  0.75000000  0.09700600  0.22353400  1
  Fe  Fe5  1  0.25000000  0.59700600  0.27646600  1
  Fe  Fe6  1  0.75000000  0.40299400  0.72353400  1
  Fe  Fe7  1  0.25000000  0.90299400  0.77646600  1
  F  F8  1  0.98247400  0.18251900  0.10611300  1
  F  F9  1  0.51752600  0.18251900  0.10611300  1
  F  F10  1  0.01957200  0.57096300  0.13508700  1
  F  F11  1  0.48042800  0.57096300  0.13508700  1
  F  F12  1  0.75000000  0.87729400  0.16176300  1
  F  F13  1  0.25000000  0.37729400  0.33823700  1
  F  F14  1  0.51957200  0.07096300  0.36491300  1
  F  F15  1  0.98042800  0.07096300  0.36491300  1
  F  F16  1  0.01752600  0.68251900  0.39388700  1
  F  F17  1  0.48247400  0.68251900  0.39388700  1
  F  F18  1  0.51752600  0.31748100  0.60611300  1
  F  F19  1  0.98247400  0.31748100  0.60611300  1
  F  F20  1  0.01957200  0.92903700  0.63508700  1
  F  F21  1  0.48042800  0.92903700  0.63508700  1
  F  F22  1  0.75000000  0.62270600  0.66176300  1
  F  F23  1  0.25000000  0.12270600  0.83823700  1
  F  F24  1  0.51957200  0.42903700  0.86491300  1
  F  F25  1  0.98042800  0.42903700  0.86491300  1
  F  F26  1  0.01752600  0.81748100  0.89388700  1
  F  F27  1  0.48247400  0.81748100  0.89388700  1
