# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21470464
_cell_length_b   5.21470464
_cell_length_c   6.43142000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.14714768
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   161.98688771
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe2  1  0.35287800  0.64712200  0.75000000  1
  Fe  Fe3  1  0.64712200  0.35287800  0.25000000  1
  F  F4  1  0.22632700  0.26125000  0.75000000  1
  F  F5  1  0.26125000  0.22632700  0.25000000  1
  F  F6  1  0.22899000  0.77101000  0.51957700  1
  F  F7  1  0.77101000  0.22899000  0.01957700  1
  F  F8  1  0.77101000  0.22899000  0.48042300  1
  F  F9  1  0.22899000  0.77101000  0.98042300  1
  F  F10  1  0.77367300  0.73875000  0.25000000  1
  F  F11  1  0.73875000  0.77367300  0.75000000  1
