# generated using pymatgen
data_LiFe2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98815419
_cell_length_b   7.98815419
_cell_length_c   5.99067833
_cell_angle_alpha   68.37663954
_cell_angle_beta   68.37663954
_cell_angle_gamma   64.28189792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2O3F
_chemical_formula_sum   'Li4 Fe8 O12 F4'
_cell_volume   310.07579738
_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  0.01172500  0.25110900  0.10139800  1
  Li  Li1  1  0.73676200  0.99621700  0.39345600  1
  Li  Li2  1  0.25110900  0.01172500  0.60139800  1
  Li  Li3  1  0.99621700  0.73676200  0.89345600  1
  Fe  Fe4  1  0.76540500  0.22162600  0.77140000  1
  Fe  Fe5  1  0.00986700  0.50365900  0.50472600  1
  Fe  Fe6  1  0.50365900  0.00986700  0.00472600  1
  Fe  Fe7  1  0.37051900  0.37526800  0.13712900  1
  Fe  Fe8  1  0.64179900  0.61290100  0.86425600  1
  Fe  Fe9  1  0.61290100  0.64179900  0.36425600  1
  Fe  Fe10  1  0.37526800  0.37051900  0.63712900  1
  Fe  Fe11  1  0.22162600  0.76540500  0.27140000  1
  O  O12  1  0.87005100  0.37983200  0.84183300  1
  O  O13  1  0.61459700  0.13919900  0.65504400  1
  O  O14  1  0.61566000  0.14051500  0.10972700  1
  O  O15  1  0.52229200  0.48652400  0.74165100  1
  O  O16  1  0.74792200  0.71669100  0.50789700  1
  O  O17  1  0.27528800  0.25585700  0.99080800  1
  O  O18  1  0.71669100  0.74792200  0.00789700  1
  O  O19  1  0.25585700  0.27528800  0.49080800  1
  O  O20  1  0.48652400  0.52229200  0.24165100  1
  O  O21  1  0.13919900  0.61459700  0.15504400  1
  O  O22  1  0.37983200  0.87005100  0.34183300  1
  O  O23  1  0.14051500  0.61566000  0.60972700  1
  F  F24  1  0.99896800  0.99707300  0.24689700  1
  F  F25  1  0.87046000  0.37221000  0.38377700  1
  F  F26  1  0.37221000  0.87046000  0.88377700  1
  F  F27  1  0.99707300  0.99896800  0.74689700  1
