# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99799800
_cell_length_b   6.46731400
_cell_length_c   9.91315100
_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   256.31748984
_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  0.75000000  0.22054700  0.44154900  1
  Li  Li1  1  0.75000000  0.72054700  0.05845100  1
  Li  Li2  1  0.25000000  0.27945300  0.94154900  1
  Li  Li3  1  0.25000000  0.77945300  0.55845100  1
  Fe  Fe4  1  0.75000000  0.07464600  0.75803900  1
  Fe  Fe5  1  0.75000000  0.57464600  0.74196100  1
  Fe  Fe6  1  0.25000000  0.42535400  0.25803900  1
  Fe  Fe7  1  0.25000000  0.92535400  0.24196100  1
  F  F8  1  0.75000000  0.34510600  0.89606100  1
  F  F9  1  0.75000000  0.84510600  0.60393900  1
  F  F10  1  0.75000000  0.31309100  0.61818900  1
  F  F11  1  0.75000000  0.40246700  0.28526600  1
  F  F12  1  0.75000000  0.81309100  0.88181100  1
  F  F13  1  0.75000000  0.90246700  0.21473400  1
  F  F14  1  0.25000000  0.09753300  0.78526600  1
  F  F15  1  0.25000000  0.18690900  0.11818900  1
  F  F16  1  0.25000000  0.59753300  0.71473400  1
  F  F17  1  0.25000000  0.68690900  0.38181100  1
  F  F18  1  0.25000000  0.15489400  0.39606100  1
  F  F19  1  0.25000000  0.65489400  0.10393900  1
