# generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76771027
_cell_length_b   10.76771027
_cell_length_c   10.76771027
_cell_angle_alpha   95.50366580
_cell_angle_beta   95.50366580
_cell_angle_gamma   143.91860108
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF5
_chemical_formula_sum   'Li8 Fe8 F40'
_cell_volume   699.10545156
_cell_formula_units_Z   8
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  0.52276600  0.56573800  0.78201300  1
  Li  Li1  1  0.46627600  0.00924700  0.28201300  1
  Li  Li2  1  0.81573800  0.53372400  0.54297100  1
  Li  Li3  1  0.25924700  0.47723400  0.04297100  1
  Li  Li4  1  0.43426200  0.21627600  0.95702900  1
  Li  Li5  1  0.99075300  0.27276600  0.45702900  1
  Li  Li6  1  0.72723400  0.18426200  0.71798700  1
  Li  Li7  1  0.78372400  0.74075300  0.21798700  1
  Fe  Fe8  1  0.48691000  0.69383900  0.39266100  1
  Fe  Fe9  1  0.34424900  0.23691000  0.29307100  1
  Fe  Fe10  1  0.94383900  0.05117800  0.70692900  1
  Fe  Fe11  1  0.30117800  0.09424900  0.60733900  1
  Fe  Fe12  1  0.94882200  0.65575100  0.89266100  1
  Fe  Fe13  1  0.30616100  0.69882200  0.79307100  1
  Fe  Fe14  1  0.90575100  0.51309000  0.20692900  1
  Fe  Fe15  1  0.76309000  0.05616100  0.10733900  1
  F  F16  1  0.70931800  0.80270000  0.34099900  1
  F  F17  1  0.35085200  0.42477400  0.37741800  1
  F  F18  1  0.67477400  0.79735600  0.57392300  1
  F  F19  1  0.05270000  0.21170100  0.59338200  1
  F  F20  1  0.61831900  0.45931800  0.40661800  1
  F  F21  1  0.22343400  0.10085200  0.42607700  1
  F  F22  1  0.35473600  0.07686400  0.24002100  1
  F  F23  1  0.41315700  0.63528500  0.74002100  1
  F  F24  1  0.04735600  0.97343400  0.62258200  1
  F  F25  1  0.12238000  0.81557200  0.53451000  1
  F  F26  1  0.96893800  0.16213000  0.03451000  1
  F  F27  1  0.79870300  0.36673300  0.33418900  1
  F  F28  1  0.21745500  0.28548600  0.83418900  1
  F  F29  1  0.46170100  0.36831900  0.65900100  1
  F  F30  1  0.18442800  0.71893800  0.30680800  1
  F  F31  1  0.83787000  0.87238000  0.80680800  1
  F  F32  1  0.61673300  0.78254500  0.06803100  1
  F  F33  1  0.53548600  0.20129700  0.56803100  1
  F  F34  1  0.88528500  0.64526400  0.72212800  1
  F  F35  1  0.32686400  0.58684300  0.22212800  1
  F  F36  1  0.92313600  0.16315700  0.27787200  1
  F  F37  1  0.36471500  0.10473600  0.77787200  1
  F  F38  1  0.63326700  0.96745500  0.43196900  1
  F  F39  1  0.71451400  0.54870300  0.93196900  1
  F  F40  1  0.41213000  0.87762000  0.69319200  1
  F  F41  1  0.06557200  0.03106200  0.19319200  1
  F  F42  1  0.78829900  0.38168100  0.84099900  1
  F  F43  1  0.03254500  0.46451400  0.66581100  1
  F  F44  1  0.45129700  0.38326700  0.16581100  1
  F  F45  1  0.28106200  0.58787000  0.46549000  1
  F  F46  1  0.12762000  0.93442800  0.96549000  1
  F  F47  1  0.20264400  0.77656600  0.87741800  1
  F  F48  1  0.83684300  0.11471500  0.75997900  1
  F  F49  1  0.89526400  0.67313600  0.25997900  1
  F  F50  1  0.02656600  0.64914800  0.07392300  1
  F  F51  1  0.63168100  0.29068200  0.09338200  1
  F  F52  1  0.19730000  0.53829900  0.90661800  1
  F  F53  1  0.57522600  0.95264400  0.92607700  1
  F  F54  1  0.89914800  0.32522600  0.12258200  1
  F  F55  1  0.54068200  0.94730000  0.15900100  1
