# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62479537
_cell_length_b   5.65206415
_cell_length_c   5.47196671
_cell_angle_alpha   59.47817195
_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   149.85807261
_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  0.40526284  0.50000000  0.25000000  1
  Li  Li1  1  0.59473716  0.50000000  0.75000000  1
  Fe  Fe2  1  0.85649100  -0.00000000  0.25000000  1
  Fe  Fe3  1  0.14350900  -0.00000000  0.75000000  1
  F  F4  1  0.11606301  0.79844528  0.17571447  1
  F  F5  1  0.63229962  0.72322300  0.32137587  1
  F  F6  1  0.88393699  0.79844528  0.67571447  1
  F  F7  1  0.36770038  0.72322300  0.82137587  1
  F  F8  1  0.63229962  0.27677700  0.17862413  1
  F  F9  1  0.11606301  0.20155472  0.32428553  1
  F  F10  1  0.36770038  0.27677700  0.67862413  1
  F  F11  1  0.88393699  0.20155472  0.82428553  1
