# generated using pymatgen
data_Li3Mn(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70404727
_cell_length_b   9.32956965
_cell_length_c   5.80889564
_cell_angle_alpha   89.99987728
_cell_angle_beta   90.00019695
_cell_angle_gamma   72.19664534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Mn(OF)2
_chemical_formula_sum   'Li12 Mn4 O8 F8'
_cell_volume   294.32429258
_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  0.75010100  0.50032300  0.00000200  1
  Li  Li1  1  0.00010700  0.00030900  0.50000400  1
  Li  Li2  1  0.25010100  0.50031900  0.00000200  1
  Li  Li3  1  0.50010900  0.00030500  0.50000400  1
  Li  Li4  1  0.37549600  0.75019000  0.75016000  1
  Li  Li5  1  0.62550100  0.25018800  0.25016100  1
  Li  Li6  1  0.87549200  0.75018900  0.75015900  1
  Li  Li7  1  0.12549600  0.25018800  0.25016100  1
  Li  Li8  1  0.37549600  0.75019100  0.24984800  1
  Li  Li9  1  0.62550000  0.25018900  0.74984700  1
  Li  Li10  1  0.87549100  0.75019000  0.24984800  1
  Li  Li11  1  0.12549500  0.25018900  0.74984700  1
  Mn  Mn12  1  0.50007000  0.00069500  0.99990400  1
  Mn  Mn13  1  0.75007500  0.50072800  0.49993100  1
  Mn  Mn14  1  0.00009700  0.00068400  0.99990600  1
  Mn  Mn15  1  0.24983400  0.50086400  0.50016400  1
  O  O16  1  0.49999300  0.50092100  0.27285400  1
  O  O17  1  0.74997700  0.00095300  0.77285200  1
  O  O18  1  0.00000700  0.50092200  0.27285500  1
  O  O19  1  0.24996500  0.00095300  0.77285400  1
  O  O20  1  0.49998900  0.50092100  0.72714200  1
  O  O21  1  0.74997300  0.00095400  0.22715600  1
  O  O22  1  0.00000200  0.50092200  0.72714000  1
  O  O23  1  0.24996300  0.00095300  0.22715600  1
  F  F24  1  0.37017900  0.26098200  0.00000500  1
  F  F25  1  0.62019300  0.76098000  0.50000300  1
  F  F26  1  0.87018600  0.26096200  0.00000500  1
  F  F27  1  0.12020200  0.76095900  0.50000400  1
  F  F28  1  0.63026200  0.74070100  0.00000600  1
  F  F29  1  0.88025100  0.24069400  0.50000300  1
  F  F30  1  0.13025300  0.74072400  0.00000400  1
  F  F31  1  0.38024800  0.24070900  0.50000400  1
