# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92742600
_cell_length_b   6.44686700
_cell_length_c   7.37394400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li4 Fe4 F12'
_cell_volume   234.24409767
_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  0.46759800  0.75000000  0.75494400  1
  Li  Li1  1  0.53240200  0.75000000  0.25494400  1
  Li  Li2  1  0.46759800  0.25000000  0.74505600  1
  Li  Li3  1  0.53240200  0.25000000  0.24505600  1
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.50000000  1
  F  F8  1  0.24350100  0.75000000  0.43233000  1
  F  F9  1  0.24350100  0.25000000  0.06767000  1
  F  F10  1  0.23243700  0.00000000  0.75000000  1
  F  F11  1  0.23243700  0.50000000  0.75000000  1
  F  F12  1  0.25150300  0.75000000  0.06620400  1
  F  F13  1  0.25150300  0.25000000  0.43379600  1
  F  F14  1  0.74849700  0.75000000  0.56620400  1
  F  F15  1  0.74849700  0.25000000  0.93379600  1
  F  F16  1  0.76756300  0.50000000  0.25000000  1
  F  F17  1  0.76756300  0.00000000  0.25000000  1
  F  F18  1  0.75649900  0.75000000  0.93233000  1
  F  F19  1  0.75649900  0.25000000  0.56767000  1
