# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22232465
_cell_length_b   5.22232465
_cell_length_c   13.72668600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000822
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li3 Fe6 O3 F15'
_cell_volume   324.20822460
_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  0.31067300  0.64310000  0.00471000  1
  Li  Li1  1  0.35690000  0.66757300  0.33804300  1
  Li  Li2  1  0.33242700  0.68932700  0.67137600  1
  Fe  Fe3  1  0.64954800  0.31330000  0.82883000  1
  Fe  Fe4  1  0.68670000  0.33624800  0.16216400  1
  Fe  Fe5  1  0.66375200  0.35045200  0.49549700  1
  Fe  Fe6  1  0.00239200  0.01906000  0.16210200  1
  Fe  Fe7  1  0.98094000  0.98333300  0.49543600  1
  Fe  Fe8  1  0.01666700  0.99760800  0.82876900  1
  O  O9  1  0.33236000  0.01680500  0.75980500  1
  O  O10  1  0.68444500  0.66764000  0.42647200  1
  O  O11  1  0.98319500  0.31555500  0.09313800  1
  F  F12  1  0.34516100  0.31042800  0.24359300  1
  F  F13  1  0.33357700  0.31896000  0.91240800  1
  F  F14  1  0.31941500  0.30062000  0.57551900  1
  F  F15  1  0.33259300  0.01379800  0.42384100  1
  F  F16  1  0.33367100  0.01650300  0.08938500  1
  F  F17  1  0.69938000  0.01879500  0.90885200  1
  F  F18  1  0.68957200  0.03473300  0.57692600  1
  F  F19  1  0.68104000  0.01461800  0.24574200  1
  F  F20  1  0.68120500  0.66740700  0.09050700  1
  F  F21  1  0.68283200  0.66632900  0.75605100  1
  F  F22  1  0.98620200  0.31879500  0.75717400  1
  F  F23  1  0.98349700  0.31716800  0.42271800  1
  F  F24  1  0.96526700  0.65483900  0.91026000  1
  F  F25  1  0.98120500  0.68058500  0.24218500  1
  F  F26  1  0.98538200  0.66642300  0.57907500  1
