# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65255300
_cell_length_b   9.13832400
_cell_length_c   19.70490600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li16 Fe16 F48'
_cell_volume   1017.85417535
_cell_formula_units_Z   16
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  0.17446300  0.33455000  0.03208400  1
  Li  Li1  1  0.67446300  0.16545000  0.03208400  1
  Li  Li2  1  0.96450100  0.33552800  0.22696400  1
  Li  Li3  1  0.46450100  0.16447200  0.22696400  1
  Li  Li4  1  0.96450100  0.83552800  0.27303600  1
  Li  Li5  1  0.46450100  0.66447200  0.27303600  1
  Li  Li6  1  0.17446300  0.83455000  0.46791600  1
  Li  Li7  1  0.67446300  0.66545000  0.46791600  1
  Li  Li8  1  0.32553700  0.33455000  0.53208400  1
  Li  Li9  1  0.82553700  0.16545000  0.53208400  1
  Li  Li10  1  0.53549900  0.33552800  0.72696400  1
  Li  Li11  1  0.03549900  0.16447200  0.72696400  1
  Li  Li12  1  0.53549900  0.83552800  0.77303600  1
  Li  Li13  1  0.03549900  0.66447200  0.77303600  1
  Li  Li14  1  0.32553700  0.83455000  0.96791600  1
  Li  Li15  1  0.82553700  0.66545000  0.96791600  1
  Fe  Fe16  1  0.16678500  0.03204700  0.12121900  1
  Fe  Fe17  1  0.66678500  0.46795300  0.12121900  1
  Fe  Fe18  1  0.16338100  0.65816000  0.12192300  1
  Fe  Fe19  1  0.66338100  0.84184000  0.12192300  1
  Fe  Fe20  1  0.66338100  0.34184000  0.37807700  1
  Fe  Fe21  1  0.16338100  0.15816000  0.37807700  1
  Fe  Fe22  1  0.66678500  0.96795300  0.37878100  1
  Fe  Fe23  1  0.16678500  0.53204700  0.37878100  1
  Fe  Fe24  1  0.83321500  0.46795300  0.62121900  1
  Fe  Fe25  1  0.33321500  0.03204700  0.62121900  1
  Fe  Fe26  1  0.83661900  0.84184000  0.62192300  1
  Fe  Fe27  1  0.33661900  0.65816000  0.62192300  1
  Fe  Fe28  1  0.83661900  0.34184000  0.87807700  1
  Fe  Fe29  1  0.33661900  0.15816000  0.87807700  1
  Fe  Fe30  1  0.83321500  0.96795300  0.87878100  1
  Fe  Fe31  1  0.33321500  0.53204700  0.87878100  1
  F  F32  1  0.34682300  0.16333600  0.05325700  1
  F  F33  1  0.84682300  0.33666400  0.05325700  1
  F  F34  1  0.31698100  0.83069600  0.06884600  1
  F  F35  1  0.81698100  0.66930400  0.06884600  1
  F  F36  1  0.35038500  0.49214400  0.07111700  1
  F  F37  1  0.85038500  0.00785600  0.07111700  1
  F  F38  1  0.99474200  0.84176100  0.17574600  1
  F  F39  1  0.49474200  0.65823900  0.17574600  1
  F  F40  1  0.48291900  0.98323800  0.17817300  1
  F  F41  1  0.98291900  0.51676200  0.17817300  1
  F  F42  1  0.15179300  0.18575600  0.19384500  1
  F  F43  1  0.65179300  0.31424400  0.19384500  1
  F  F44  1  0.65179300  0.81424400  0.30615500  1
  F  F45  1  0.15179300  0.68575600  0.30615500  1
  F  F46  1  0.48291900  0.48323800  0.32182700  1
  F  F47  1  0.98291900  0.01676200  0.32182700  1
  F  F48  1  0.99474200  0.34176100  0.32425400  1
  F  F49  1  0.49474200  0.15823900  0.32425400  1
  F  F50  1  0.35038500  0.99214400  0.42888300  1
  F  F51  1  0.85038500  0.50785600  0.42888300  1
  F  F52  1  0.31698100  0.33069600  0.43115400  1
  F  F53  1  0.81698100  0.16930400  0.43115400  1
  F  F54  1  0.84682300  0.83666400  0.44674300  1
  F  F55  1  0.34682300  0.66333600  0.44674300  1
  F  F56  1  0.65317700  0.33666400  0.55325700  1
  F  F57  1  0.15317700  0.16333600  0.55325700  1
  F  F58  1  0.18301900  0.83069600  0.56884600  1
  F  F59  1  0.68301900  0.66930400  0.56884600  1
  F  F60  1  0.14961500  0.49214400  0.57111700  1
  F  F61  1  0.64961500  0.00785600  0.57111700  1
  F  F62  1  0.50525800  0.84176100  0.67574600  1
  F  F63  1  0.00525800  0.65823900  0.67574600  1
  F  F64  1  0.01708100  0.98323800  0.67817300  1
  F  F65  1  0.51708100  0.51676200  0.67817300  1
  F  F66  1  0.84820700  0.31424400  0.69384500  1
  F  F67  1  0.34820700  0.18575600  0.69384500  1
  F  F68  1  0.84820700  0.81424400  0.80615500  1
  F  F69  1  0.34820700  0.68575600  0.80615500  1
  F  F70  1  0.01708100  0.48323800  0.82182700  1
  F  F71  1  0.51708100  0.01676200  0.82182700  1
  F  F72  1  0.50525800  0.34176100  0.82425400  1
  F  F73  1  0.00525800  0.15823900  0.82425400  1
  F  F74  1  0.14961500  0.99214400  0.92888300  1
  F  F75  1  0.64961500  0.50785600  0.92888300  1
  F  F76  1  0.18301900  0.33069600  0.93115400  1
  F  F77  1  0.68301900  0.16930400  0.93115400  1
  F  F78  1  0.65317700  0.83666400  0.94674300  1
  F  F79  1  0.15317700  0.66333600  0.94674300  1
