# generated using pymatgen
data_Li3Mn(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97612238
_cell_length_b   5.97612238
_cell_length_c   9.39338851
_cell_angle_alpha   70.34339459
_cell_angle_beta   70.34339459
_cell_angle_gamma   86.23252379
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn(OF)2
_chemical_formula_sum   'Li12 Mn4 O8 F8'
_cell_volume   297.08969630
_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  0.54767200  0.29704800  0.13267500  1
  Li  Li1  1  0.29704800  0.54767200  0.63267500  1
  Li  Li2  1  0.19787800  0.94729200  0.36887100  1
  Li  Li3  1  0.54396500  0.82683000  0.12493100  1
  Li  Li4  1  0.19645100  0.43989200  0.38126600  1
  Li  Li5  1  0.07077000  0.82179000  0.12375100  1
  Li  Li6  1  0.94729200  0.19787800  0.86887100  1
  Li  Li7  1  0.82683000  0.54396500  0.62493100  1
  Li  Li8  1  0.43989200  0.19645100  0.88126600  1
  Li  Li9  1  0.82179000  0.07077000  0.62375100  1
  Li  Li10  1  0.68117500  0.44118800  0.35654800  1
  Li  Li11  1  0.44118800  0.68117500  0.85654800  1
  Mn  Mn12  1  0.06439900  0.30021000  0.11600000  1
  Mn  Mn13  1  0.30021000  0.06439900  0.61600000  1
  Mn  Mn14  1  0.67449600  0.93991400  0.37665400  1
  Mn  Mn15  1  0.93991400  0.67449600  0.87665400  1
  O  O16  1  0.80551800  0.05202900  0.14868300  1
  O  O17  1  0.05202900  0.80551800  0.64868300  1
  O  O18  1  0.29668100  0.07766300  0.12484800  1
  O  O19  1  0.83831300  0.55406400  0.10850500  1
  O  O20  1  0.07766300  0.29668100  0.62484800  1
  O  O21  1  0.55406400  0.83831300  0.60850500  1
  O  O22  1  0.44845400  0.18148800  0.37830000  1
  O  O23  1  0.18148800  0.44845400  0.87830000  1
  F  F24  1  0.43158600  0.67935100  0.37146500  1
  F  F25  1  0.67935100  0.43158600  0.87146500  1
  F  F26  1  0.92034400  0.68942200  0.38343800  1
  F  F27  1  0.31260100  0.56896900  0.13069000  1
  F  F28  1  0.68942200  0.92034400  0.88343800  1
  F  F29  1  0.56896900  0.31260100  0.63069000  1
  F  F30  1  0.94936700  0.20318100  0.37337400  1
  F  F31  1  0.20318100  0.94936700  0.87337400  1
