# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58985747
_cell_length_b   5.53650300
_cell_length_c   4.94910913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.89908100
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   125.75008808
_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  0.64645589  0.75000000  1
  Li  Li1  1  0.50000000  0.35354411  0.25000000  1
  Fe  Fe2  1  -0.00000000  0.17144788  0.75000000  1
  Fe  Fe3  1  -0.00000000  0.82855212  0.25000000  1
  F  F4  1  0.22464887  0.88956395  0.92260057  1
  F  F5  1  0.22464887  0.11043605  0.42260057  1
  F  F6  1  0.26327715  0.38134201  0.91433973  1
  F  F7  1  0.26327715  0.61865799  0.41433973  1
  F  F8  1  0.73672285  0.38134201  0.58566027  1
  F  F9  1  0.73672285  0.61865799  0.08566027  1
  F  F10  1  0.77535113  0.88956395  0.57739943  1
  F  F11  1  0.77535113  0.11043605  0.07739943  1
