# generated using pymatgen
data_Li2FeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19412600
_cell_length_b   6.41099100
_cell_length_c   8.90206500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF5
_chemical_formula_sum   'Li8 Fe4 F20'
_cell_volume   353.50532790
_cell_formula_units_Z   4
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  0.76308700  0.94190400  0.34639700  1
  Li  Li1  1  0.23407100  0.93682700  0.33759500  1
  Li  Li2  1  0.23407100  0.56317300  0.83759500  1
  Li  Li3  1  0.76308700  0.55809600  0.84639700  1
  Li  Li4  1  0.26308700  0.44190400  0.15360300  1
  Li  Li5  1  0.73407100  0.43682700  0.16240500  1
  Li  Li6  1  0.73407100  0.06317300  0.66240500  1
  Li  Li7  1  0.26308700  0.05809600  0.65360300  1
  Fe  Fe8  1  0.99366100  0.08414300  0.00011400  1
  Fe  Fe9  1  0.99366100  0.41585700  0.50011400  1
  Fe  Fe10  1  0.49366100  0.58414300  0.49988600  1
  Fe  Fe11  1  0.49366100  0.91585700  0.99988600  1
  F  F12  1  0.99238200  0.08256400  0.49257700  1
  F  F13  1  0.49388900  0.06260700  0.80306500  1
  F  F14  1  0.69897000  0.16789300  0.06295600  1
  F  F15  1  0.28818300  0.16655600  0.06380800  1
  F  F16  1  0.99696800  0.12275100  0.78468300  1
  F  F17  1  0.99696800  0.37724900  0.28468300  1
  F  F18  1  0.28818300  0.33344400  0.56380800  1
  F  F19  1  0.69897000  0.33210700  0.56295600  1
  F  F20  1  0.49388900  0.43739300  0.30306500  1
  F  F21  1  0.99238200  0.41743600  0.99257700  1
  F  F22  1  0.49238200  0.58256400  0.00742300  1
  F  F23  1  0.99388900  0.56260700  0.69693500  1
  F  F24  1  0.19897000  0.66789300  0.43704400  1
  F  F25  1  0.78818300  0.66655600  0.43619200  1
  F  F26  1  0.49696800  0.62275100  0.71531700  1
  F  F27  1  0.49696800  0.87724900  0.21531700  1
  F  F28  1  0.78818300  0.83344400  0.93619200  1
  F  F29  1  0.19897000  0.83210700  0.93704400  1
  F  F30  1  0.99388900  0.93739300  0.19693500  1
  F  F31  1  0.49238200  0.91743600  0.50742300  1
