# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07091400
_cell_length_b   5.20941900
_cell_length_c   5.55805478
_cell_angle_alpha   75.70932999
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   142.28109726
_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  0.32749600  0.50000000  0.25000000  1
  Li  Li1  1  0.67250400  0.50000000  0.75000000  1
  Fe  Fe2  1  0.81366400  0.00000000  0.25000000  1
  Fe  Fe3  1  0.18633600  0.00000000  0.75000000  1
  F  F4  1  0.02689900  0.76791600  0.10204500  1
  F  F5  1  0.54602200  0.74855600  0.37255400  1
  F  F6  1  0.97310100  0.76791600  0.60204500  1
  F  F7  1  0.45397800  0.74855600  0.87255400  1
  F  F8  1  0.54602200  0.25144400  0.12744600  1
  F  F9  1  0.02689900  0.23208400  0.39795500  1
  F  F10  1  0.45397800  0.25144400  0.62744600  1
  F  F11  1  0.97310100  0.23208400  0.89795500  1
