# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05218545
_cell_length_b   6.05218545
_cell_length_c   5.32375247
_cell_angle_alpha   87.10378728
_cell_angle_beta   87.10378728
_cell_angle_gamma   55.89357918
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   161.19804573
_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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.83472300  0.16527700  0.75000000  1
  Fe  Fe3  1  0.16527700  0.83472300  0.25000000  1
  F  F4  1  0.99289900  0.19540300  0.41428400  1
  F  F5  1  0.50271800  0.76909900  0.29057500  1
  F  F6  1  0.19540300  0.99289900  0.91428400  1
  F  F7  1  0.76909900  0.50271800  0.79057500  1
  F  F8  1  0.23090100  0.49728200  0.20942500  1
  F  F9  1  0.80459700  0.00710100  0.08571600  1
  F  F10  1  0.49728200  0.23090100  0.70942500  1
  F  F11  1  0.00710100  0.80459700  0.58571600  1
