# generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77027900
_cell_length_b   5.58008800
_cell_length_c   16.01963900
_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   426.41998790
_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  0.08742200  0.25000000  0.07489700  1
  Li  Li1  1  0.58742200  0.75000000  0.42510300  1
  Li  Li2  1  0.41257800  0.25000000  0.57489700  1
  Li  Li3  1  0.91257800  0.75000000  0.92510300  1
  Fe  Fe4  1  0.53869000  0.75000000  0.13449900  1
  Fe  Fe5  1  0.03869000  0.25000000  0.36550100  1
  Fe  Fe6  1  0.96131000  0.75000000  0.63449900  1
  Fe  Fe7  1  0.46131000  0.25000000  0.86550100  1
  F  F8  1  0.74096600  0.75000000  0.03420900  1
  F  F9  1  0.27336100  0.52851100  0.11044400  1
  F  F10  1  0.27336100  0.97148900  0.11044400  1
  F  F11  1  0.73339300  0.52112500  0.18536600  1
  F  F12  1  0.73339300  0.97887500  0.18536600  1
  F  F13  1  0.23339300  0.02112500  0.31463400  1
  F  F14  1  0.23339300  0.47887500  0.31463400  1
  F  F15  1  0.77336100  0.02851100  0.38955600  1
  F  F16  1  0.77336100  0.47148900  0.38955600  1
  F  F17  1  0.24096600  0.25000000  0.46579100  1
  F  F18  1  0.75903400  0.75000000  0.53420900  1
  F  F19  1  0.22663900  0.52851100  0.61044400  1
  F  F20  1  0.22663900  0.97148900  0.61044400  1
  F  F21  1  0.76660700  0.52112500  0.68536600  1
  F  F22  1  0.76660700  0.97887500  0.68536600  1
  F  F23  1  0.26660700  0.02112500  0.81463400  1
  F  F24  1  0.26660700  0.47887500  0.81463400  1
  F  F25  1  0.72663900  0.02851100  0.88955600  1
  F  F26  1  0.72663900  0.47148900  0.88955600  1
  F  F27  1  0.25903400  0.25000000  0.96579100  1
