# generated using pymatgen
data_Mn3O5F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54501589
_cell_length_b   4.54501589
_cell_length_c   9.02403500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.04360528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3O5F
_chemical_formula_sum   'Mn6 O10 F2'
_cell_volume   186.29245820
_cell_formula_units_Z   2
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
  Mn  Mn0  1  0.99270100  0.00729900  0.65968100  1.0
  Mn  Mn1  1  0.99270100  0.00729900  0.34031900  1.0
  Mn  Mn2  1  0.98365300  0.01634700  0.00000000  1.0
  Mn  Mn3  1  0.51678200  0.48321800  0.83229200  1.0
  Mn  Mn4  1  0.49319500  0.50680500  0.50000000  1.0
  Mn  Mn5  1  0.51678200  0.48321800  0.16770800  1.0
  O  O6  1  0.80294500  0.19705500  0.50000000  1.0
  O  O7  1  0.80524300  0.19475700  0.17185300  1.0
  O  O8  1  0.80524300  0.19475700  0.82814700  1.0
  O  O9  1  0.30505100  0.30574300  0.66644500  1.0
  O  O10  1  0.30505100  0.30574300  0.33355500  1.0
  O  O11  1  0.30728900  0.30346800  0.00000000  1.0
  O  O12  1  0.69425700  0.69494900  0.66644500  1.0
  O  O13  1  0.69425700  0.69494900  0.33355500  1.0
  O  O14  1  0.69653200  0.69271100  0.00000000  1.0
  O  O15  1  0.19061000  0.80939000  0.50000000  1.0
  F  F16  1  0.19885500  0.80114500  0.16941000  1.0
  F  F17  1  0.19885500  0.80114500  0.83059000  1.0