# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25902675
_cell_length_b   8.25902675
_cell_length_c   8.25902675
_cell_angle_alpha   136.45994484
_cell_angle_beta   115.28639689
_cell_angle_gamma   81.25505571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   339.47559129
_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  0.28036400  0.13478600  0.14557800  1
  Li  Li1  1  0.01079200  0.86521400  0.14557800  1
  Li  Li2  1  0.49346800  0.62883900  0.86462900  1
  Li  Li3  1  0.23579000  0.37116100  0.86462900  1
  Fe  Fe4  1  0.02330500  0.50000000  0.52330500  1
  Fe  Fe5  1  0.23209700  0.74801200  0.48408500  1
  Fe  Fe6  1  0.73607200  0.25198800  0.48408500  1
  Fe  Fe7  1  0.63022100  0.62250400  0.49059900  1
  Fe  Fe8  1  0.86809400  0.37749600  0.00771700  1
  Fe  Fe9  1  0.63022100  0.13962200  0.00771700  1
  Fe  Fe10  1  0.86809400  0.86037800  0.49059900  1
  Fe  Fe11  1  0.48274900  0.00000000  0.48274900  1
  O  O12  1  0.79030100  0.50000000  0.29030100  1
  O  O13  1  0.99622800  0.73175200  0.26447500  1
  O  O14  1  0.53272300  0.26824800  0.26447500  1
  O  O15  1  0.71763700  0.00000000  0.71763700  1
  F  F16  1  0.25818000  0.00000000  0.25818000  1
  F  F17  1  0.13019800  0.87534000  0.75623500  1
  F  F18  1  0.88089500  0.12466000  0.25485800  1
  F  F19  1  0.88089500  0.62603800  0.75623500  1
  F  F20  1  0.13019800  0.37396200  0.25485800  1
  F  F21  1  0.96659000  0.24216800  0.72442200  1
  F  F22  1  0.48225400  0.75783200  0.72442200  1
  F  F23  1  0.62482500  0.88183700  0.25297500  1
  F  F24  1  0.37113800  0.62815000  0.25297500  1
  F  F25  1  0.62482500  0.37185000  0.74298800  1
  F  F26  1  0.37113800  0.11816300  0.74298800  1
  F  F27  1  0.25069600  0.50000000  0.75069600  1
