# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03144100
_cell_length_b   7.83895700
_cell_length_c   9.99044600
_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   237.40632156
_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  0.50269800  0.81400100  1
  Li  Li1  1  0.25000000  0.99730200  0.31400100  1
  Li  Li2  1  0.75000000  0.00269800  0.68599900  1
  Li  Li3  1  0.25000000  0.49730200  0.18599900  1
  Fe  Fe4  1  0.25000000  0.69059000  0.51350200  1
  Fe  Fe5  1  0.75000000  0.80941000  0.01350200  1
  Fe  Fe6  1  0.25000000  0.19059000  0.98649800  1
  Fe  Fe7  1  0.75000000  0.30941000  0.48649800  1
  F  F8  1  0.25000000  0.47363200  0.38898900  1
  F  F9  1  0.25000000  0.67541900  0.91248300  1
  F  F10  1  0.75000000  0.64954400  0.16424700  1
  F  F11  1  0.25000000  0.85045600  0.66424700  1
  F  F12  1  0.75000000  0.82458100  0.41248300  1
  F  F13  1  0.75000000  0.02636800  0.88898900  1
  F  F14  1  0.25000000  0.97363200  0.11101100  1
  F  F15  1  0.25000000  0.17541900  0.58751700  1
  F  F16  1  0.75000000  0.14954400  0.33575300  1
  F  F17  1  0.25000000  0.35045600  0.83575300  1
  F  F18  1  0.75000000  0.32458100  0.08751700  1
  F  F19  1  0.75000000  0.52636800  0.61101100  1
