# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67619671
_cell_length_b   6.67619671
_cell_length_c   6.67619671
_cell_angle_alpha   136.59046913
_cell_angle_beta   136.59046913
_cell_angle_gamma   63.06876976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   138.75338624
_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  0.75000000  0.25000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe2  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.25000000  0.75000000  0.50000000  1
  F  F4  1  0.20123700  0.69176000  0.03168000  1
  F  F5  1  0.44176000  0.91008000  0.99052300  1
  F  F6  1  0.91955700  0.45123700  0.00947700  1
  F  F7  1  0.66008000  0.16955700  0.96832000  1
  F  F8  1  0.08992000  0.08044300  0.53168000  1
  F  F9  1  0.83044300  0.79876300  0.49052300  1
  F  F10  1  0.30824000  0.33992000  0.50947700  1
  F  F11  1  0.54876300  0.55824000  0.46832000  1
