# generated using pymatgen
data_Li2FeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76081354
_cell_length_b   8.76081354
_cell_length_c   4.50803193
_cell_angle_alpha   89.29903592
_cell_angle_beta   89.29903592
_cell_angle_gamma   59.35496583
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF6
_chemical_formula_sum   'Li6 Fe3 F18'
_cell_volume   297.64853642
_cell_formula_units_Z   3
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  0.00715800  0.34102600  0.99485800  1
  Li  Li1  1  0.99284200  0.65897400  0.00514200  1
  Li  Li2  1  0.65897400  0.99284200  0.00514200  1
  Li  Li3  1  0.65114900  0.34885100  0.00000000  1
  Li  Li4  1  0.34102600  0.00715800  0.99485800  1
  Li  Li5  1  0.34885100  0.65114900  0.00000000  1
  Fe  Fe6  1  0.66691300  0.66691300  0.50575900  1
  Fe  Fe7  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe8  1  0.33308700  0.33308700  0.49424100  1
  F  F9  1  0.89442800  0.20800600  0.78142800  1
  F  F10  1  0.87163300  0.56338900  0.74614000  1
  F  F11  1  0.77259100  0.46244900  0.26990100  1
  F  F12  1  0.77236100  0.77236100  0.25539700  1
  F  F13  1  0.89666000  0.89666000  0.78295400  1
  F  F14  1  0.56193900  0.56193900  0.75794100  1
  F  F15  1  0.79199400  0.10557200  0.21857200  1
  F  F16  1  0.46244900  0.77259100  0.26990100  1
  F  F17  1  0.56338900  0.87163300  0.74614000  1
  F  F18  1  0.43661100  0.12836700  0.25386000  1
  F  F19  1  0.53755100  0.22740900  0.73009900  1
  F  F20  1  0.20800600  0.89442800  0.78142800  1
  F  F21  1  0.10334000  0.10334000  0.21704600  1
  F  F22  1  0.22763900  0.22763900  0.74460300  1
  F  F23  1  0.43806100  0.43806100  0.24205900  1
  F  F24  1  0.22740900  0.53755100  0.73009900  1
  F  F25  1  0.12836700  0.43661100  0.25386000  1
  F  F26  1  0.10557200  0.79199400  0.21857200  1
