# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85368900
_cell_length_b   5.34813300
_cell_length_c   15.21430511
_cell_angle_alpha   89.31129171
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li4 Fe8 O4 F20'
_cell_volume   394.90705320
_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  0.25695900  0.12910200  0.57436900  1
  Li  Li1  1  0.74304100  0.12910200  0.07436900  1
  Li  Li2  1  0.75504600  0.81484300  0.92660000  1
  Li  Li3  1  0.24495400  0.81484300  0.42660000  1
  Fe  Fe4  1  0.76846700  0.28116100  0.74932000  1
  Fe  Fe5  1  0.21629800  0.30294900  0.90439700  1
  Fe  Fe6  1  0.23153300  0.28116100  0.24931900  1
  Fe  Fe7  1  0.78370200  0.30294900  0.40439700  1
  Fe  Fe8  1  0.72713700  0.61708100  0.58698600  1
  Fe  Fe9  1  0.27090900  0.79249500  0.75241400  1
  Fe  Fe10  1  0.27286300  0.61708100  0.08698600  1
  Fe  Fe11  1  0.72909100  0.79249500  0.25241400  1
  O  O12  1  0.08184700  0.09278800  0.80220400  1
  O  O13  1  0.91815300  0.09278800  0.30220400  1
  O  O14  1  0.52648800  0.54810400  0.69580400  1
  O  O15  1  0.47351200  0.54810400  0.19580400  1
  F  F16  1  0.57607000  0.16583500  0.86183100  1
  F  F17  1  0.00180000  0.07867900  0.97564200  1
  F  F18  1  0.42393000  0.16583500  0.36183100  1
  F  F19  1  0.99820000  0.07867900  0.47564200  1
  F  F20  1  0.53922800  0.35007600  0.51683300  1
  F  F21  1  0.97274800  0.33449800  0.63736800  1
  F  F22  1  0.96939400  0.56566400  0.80846700  1
  F  F23  1  0.46077200  0.35007600  0.01683300  1
  F  F24  1  0.43478900  0.64512900  0.86324500  1
  F  F25  1  0.02725200  0.33449800  0.13736800  1
  F  F26  1  0.02449400  0.57119800  0.97806100  1
  F  F27  1  0.03060600  0.56566400  0.30846700  1
  F  F28  1  0.56521100  0.64512900  0.36324500  1
  F  F29  1  0.97550600  0.57119800  0.47806100  1
  F  F30  1  0.48728600  0.84810300  0.53014300  1
  F  F31  1  0.02782100  0.82336100  0.64438600  1
  F  F32  1  0.52358400  0.03893200  0.69193200  1
  F  F33  1  0.51271400  0.84810300  0.03014300  1
  F  F34  1  0.97217900  0.82336100  0.14438600  1
  F  F35  1  0.47641600  0.03893200  0.19193200  1
