# generated using pymatgen
data_LiFe2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45043218
_cell_length_b   6.45043218
_cell_length_c   5.46987241
_cell_angle_alpha   88.94806282
_cell_angle_beta   88.94806282
_cell_angle_gamma   48.77996473
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2F5
_chemical_formula_sum   'Li2 Fe4 F10'
_cell_volume   171.15554304
_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  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe2  1  0.65892200  0.15126700  0.53830000  1
  Fe  Fe3  1  0.15126700  0.65892200  0.03830000  1
  Fe  Fe4  1  0.84873300  0.34107800  0.96170000  1
  Fe  Fe5  1  0.34107800  0.84873300  0.46170000  1
  F  F6  1  0.53126100  0.29203700  0.90607000  1
  F  F7  1  0.29203700  0.53126100  0.40607000  1
  F  F8  1  0.86850000  0.69297400  0.83783000  1
  F  F9  1  0.69297400  0.86850000  0.33783000  1
  F  F10  1  0.30702600  0.13150000  0.66217000  1
  F  F11  1  0.13150000  0.30702600  0.16217000  1
  F  F12  1  0.70796300  0.46873900  0.59393000  1
  F  F13  1  0.46873900  0.70796300  0.09393000  1
  F  F14  1  0.04542900  0.95457100  0.75000000  1
  F  F15  1  0.95457100  0.04542900  0.25000000  1
