# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50293400
_cell_length_b   6.58202903
_cell_length_c   6.89488659
_cell_angle_alpha   83.31857513
_cell_angle_beta   83.66283367
_cell_angle_gamma   83.84485465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li4 Fe4 F12'
_cell_volume   245.39499242
_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  0.79765900  0.69492900  0.40892700  1
  Li  Li1  1  0.69983800  0.12262300  0.76718800  1
  Li  Li2  1  0.30016200  0.87737700  0.23281200  1
  Li  Li3  1  0.20234100  0.30507100  0.59107300  1
  Fe  Fe4  1  0.74633500  0.59812300  0.91071000  1
  Fe  Fe5  1  0.24747300  0.79454900  0.71771500  1
  Fe  Fe6  1  0.75252700  0.20545100  0.28228500  1
  Fe  Fe7  1  0.25366500  0.40187700  0.08929000  1
  F  F8  1  0.38229400  0.69287400  0.02035000  1
  F  F9  1  0.88850900  0.87152300  0.84789100  1
  F  F10  1  0.11284700  0.48199800  0.81602900  1
  F  F11  1  0.60140100  0.64037100  0.65387100  1
  F  F12  1  0.61871500  0.93030300  0.28834800  1
  F  F13  1  0.88516500  0.24037500  0.54026600  1
  F  F14  1  0.11483500  0.75962500  0.45973400  1
  F  F15  1  0.38128500  0.06969700  0.71165200  1
  F  F16  1  0.39859900  0.35962900  0.34612900  1
  F  F17  1  0.88715300  0.51800200  0.18397100  1
  F  F18  1  0.11149100  0.12847700  0.15210900  1
  F  F19  1  0.61770600  0.30712600  0.97965000  1
