# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05777600
_cell_length_b   5.39306800
_cell_length_c   14.68712600
_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   242.20236780
_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  0.25000000  0.07554600  0.32386600  1
  Li  Li1  1  0.75000000  0.42445400  0.82386600  1
  Li  Li2  1  0.25000000  0.57554600  0.17613400  1
  Li  Li3  1  0.75000000  0.92445400  0.67613400  1
  Fe  Fe4  1  0.25000000  0.10174800  0.09181700  1
  Fe  Fe5  1  0.75000000  0.39825200  0.59181700  1
  Fe  Fe6  1  0.25000000  0.60174800  0.40818300  1
  Fe  Fe7  1  0.75000000  0.89825200  0.90818300  1
  F  F8  1  0.75000000  0.08273200  0.79220100  1
  F  F9  1  0.25000000  0.15767800  0.95337600  1
  F  F10  1  0.25000000  0.13321200  0.62215700  1
  F  F11  1  0.75000000  0.36678800  0.12215700  1
  F  F12  1  0.75000000  0.34232200  0.45337600  1
  F  F13  1  0.25000000  0.41726800  0.29220100  1
  F  F14  1  0.75000000  0.58273200  0.70779900  1
  F  F15  1  0.25000000  0.65767800  0.54662400  1
  F  F16  1  0.25000000  0.63321200  0.87784300  1
  F  F17  1  0.75000000  0.86678800  0.37784300  1
  F  F18  1  0.75000000  0.84232200  0.04662400  1
  F  F19  1  0.25000000  0.91726800  0.20779900  1
