# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23427100
_cell_length_b   6.18669399
_cell_length_c   5.61414657
_cell_angle_alpha   85.54348456
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.97418385
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   164.12709334
_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  0.78341500  0.00000000  0.75000000  1
  Li  Li1  1  0.21658500  0.00000000  0.25000000  1
  Fe  Fe2  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  F  F4  1  0.30282700  0.84322000  0.97605100  1
  F  F5  1  0.85395300  0.84322000  0.47605100  1
  F  F6  1  0.33057000  0.47777100  0.69091100  1
  F  F7  1  0.80834100  0.52222900  0.80908900  1
  F  F8  1  0.19165900  0.47777100  0.19091100  1
  F  F9  1  0.66943000  0.52222900  0.30908900  1
  F  F10  1  0.14604700  0.15678000  0.52394900  1
  F  F11  1  0.69717300  0.15678000  0.02394900  1
