# generated using pymatgen
data_LiFe2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70059900
_cell_length_b   8.82168355
_cell_length_c   8.82321857
_cell_angle_alpha   119.89086544
_cell_angle_beta   89.88190457
_cell_angle_gamma   90.66520760
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF5
_chemical_formula_sum   'Li3 Fe6 O3 F15'
_cell_volume   317.17987089
_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  0.01160200  0.36504000  0.99231000  1
  Li  Li1  1  0.98525000  0.64695500  0.64533300  1
  Li  Li2  1  0.01078400  0.00862000  0.35790100  1
  Fe  Fe3  1  0.48354500  0.67955700  0.99039400  1
  Fe  Fe4  1  0.47067400  0.33741000  0.67615700  1
  Fe  Fe5  1  0.99440500  0.00150800  0.00063900  1
  Fe  Fe6  1  0.52771700  0.99655700  0.70473700  1
  Fe  Fe7  1  0.47204200  0.28776600  0.29911400  1
  Fe  Fe8  1  0.51554200  0.66529300  0.33539500  1
  O  O9  1  0.27635100  0.46763400  0.88712400  1
  O  O10  1  0.76901100  0.89670300  0.79084900  1
  O  O11  1  0.22402300  0.10167700  0.20907200  1
  F  F12  1  0.24087600  0.11782800  0.89329400  1
  F  F13  1  0.72888400  0.22427700  0.77388000  1
  F  F14  1  0.27647400  0.10773100  0.57769100  1
  F  F15  1  0.72603100  0.55457300  0.77343300  1
  F  F16  1  0.23841200  0.78277200  0.88476600  1
  F  F17  1  0.70878000  0.22656300  0.45021200  1
  F  F18  1  0.26538000  0.42263800  0.53421000  1
  F  F19  1  0.28632700  0.77557700  0.55060200  1
  F  F20  1  0.72779300  0.53604900  0.42079200  1
  F  F21  1  0.73668400  0.88343600  0.46192100  1
  F  F22  1  0.28090300  0.45010300  0.22597600  1
  F  F23  1  0.75790300  0.22530600  0.11001300  1
  F  F24  1  0.28841900  0.77408600  0.22626200  1
  F  F25  1  0.73801900  0.58253300  0.12156900  1
  F  F26  1  0.75817200  0.88180900  0.10645300  1
