# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59630012
_cell_length_b   5.57666241
_cell_length_c   9.96394734
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   255.39603875
_cell_formula_units_Z   4
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  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  -0.00000000  0.00000000  1
  Li  Li3  1  0.50000000  -0.00000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.80411171  0.25000000  1
  Fe  Fe5  1  0.00000000  0.19588829  0.75000000  1
  Fe  Fe6  1  0.50000000  0.30411171  0.25000000  1
  Fe  Fe7  1  0.50000000  0.69588829  0.75000000  1
  F  F8  1  0.21284482  0.22406173  0.58978392  1
  F  F9  1  0.21284482  0.77593827  0.08978392  1
  F  F10  1  0.23647918  0.46400327  0.82950303  1
  F  F11  1  0.23647918  0.53599673  0.32950303  1
  F  F12  1  0.26352082  0.03599673  0.32950303  1
  F  F13  1  0.26352082  0.96400327  0.82950303  1
  F  F14  1  0.28715518  0.27593827  0.08978392  1
  F  F15  1  0.28715518  0.72406173  0.58978392  1
  F  F16  1  0.71284482  0.27593827  0.41021608  1
  F  F17  1  0.71284482  0.72406173  0.91021608  1
  F  F18  1  0.73647918  0.96400327  0.67049697  1
  F  F19  1  0.73647918  0.03599673  0.17049697  1
  F  F20  1  0.76352082  0.53599673  0.17049697  1
  F  F21  1  0.76352082  0.46400327  0.67049697  1
  F  F22  1  0.78715518  0.77593827  0.41021608  1
  F  F23  1  0.78715518  0.22406173  0.91021608  1
