# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80900400
_cell_length_b   4.04065600
_cell_length_c   5.56703902
_cell_angle_alpha   70.19480646
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   122.94142329
_cell_formula_units_Z   2
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  0.18946000  0.43643700  1
  Li  Li1  1  0.25000000  0.81054000  0.56356300  1
  Fe  Fe2  1  0.25000000  0.01829100  0.99710100  1
  Fe  Fe3  1  0.75000000  0.98170900  0.00289900  1
  F  F4  1  0.25000000  0.54033900  0.93645400  1
  F  F5  1  0.49203800  0.87685600  0.29794400  1
  F  F6  1  0.00796200  0.87685600  0.29794400  1
  F  F7  1  0.99203800  0.12314400  0.70205600  1
  F  F8  1  0.50796200  0.12314400  0.70205600  1
  F  F9  1  0.75000000  0.45966100  0.06354600  1
