# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03236141
_cell_length_b   7.03236141
_cell_length_c   5.79063177
_cell_angle_alpha   72.29659831
_cell_angle_beta   72.29659831
_cell_angle_gamma   67.64287451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li4 Fe4 F12'
_cell_volume   246.46485684
_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  0.93164300  0.06835700  0.25000000  1
  Li  Li1  1  0.30791000  0.69209000  0.25000000  1
  Li  Li2  1  0.06835700  0.93164300  0.75000000  1
  Li  Li3  1  0.69209000  0.30791000  0.75000000  1
  Fe  Fe4  1  0.83264900  0.66062600  0.18732200  1
  Fe  Fe5  1  0.66062600  0.83264900  0.68732200  1
  Fe  Fe6  1  0.33937400  0.16735100  0.31267800  1
  Fe  Fe7  1  0.16735100  0.33937400  0.81267800  1
  F  F8  1  0.06163200  0.79054200  0.11532600  1
  F  F9  1  0.79054200  0.06163200  0.61532600  1
  F  F10  1  0.02746400  0.34554700  0.21545600  1
  F  F11  1  0.58335800  0.68232400  0.06040300  1
  F  F12  1  0.34554700  0.02746400  0.71545600  1
  F  F13  1  0.68232400  0.58335800  0.56040300  1
  F  F14  1  0.31767600  0.41664200  0.43959700  1
  F  F15  1  0.65445300  0.97253600  0.28454400  1
  F  F16  1  0.41664200  0.31767600  0.93959700  1
  F  F17  1  0.97253600  0.65445300  0.78454400  1
  F  F18  1  0.20945800  0.93836800  0.38467400  1
  F  F19  1  0.93836800  0.20945800  0.88467400  1
