# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72087100
_cell_length_b   6.12698700
_cell_length_c   10.09596931
_cell_angle_alpha   88.18711710
_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   291.87687187
_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  0.22561500  0.74132400  0.72795800  1
  Li  Li1  1  0.77438500  0.74132400  0.22795800  1
  Li  Li2  1  0.75084400  0.21738800  0.77654200  1
  Li  Li3  1  0.24915600  0.21738800  0.27654200  1
  Fe  Fe4  1  0.74743700  0.98884700  0.50310000  1
  Fe  Fe5  1  0.25256300  0.98884700  0.00310000  1
  Fe  Fe6  1  0.74630400  0.48946100  0.50460000  1
  Fe  Fe7  1  0.25369600  0.48946100  0.00460000  1
  F  F8  1  0.49234500  0.73749700  0.07396800  1
  F  F9  1  0.94835600  0.97892000  0.66766300  1
  F  F10  1  0.50765500  0.73749700  0.57396800  1
  F  F11  1  0.05164400  0.97892000  0.16766300  1
  F  F12  1  0.02425600  0.74396300  0.93560300  1
  F  F13  1  0.97574400  0.74396300  0.43560300  1
  F  F14  1  0.43989000  0.50361700  0.83951000  1
  F  F15  1  0.94250300  0.47700800  0.66839700  1
  F  F16  1  0.56011000  0.50361700  0.33951000  1
  F  F17  1  0.05749700  0.47700800  0.16839700  1
  F  F18  1  0.52315200  0.23372600  0.57395700  1
  F  F19  1  0.47684800  0.23372600  0.07395700  1
  F  F20  1  0.45102800  0.99755200  0.83947600  1
  F  F21  1  0.98813600  0.23977800  0.43463200  1
  F  F22  1  0.54897200  0.99755200  0.33947600  1
  F  F23  1  0.01186400  0.23977800  0.93463200  1
