# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84539900
_cell_length_b   5.80207928
_cell_length_c   16.07447481
_cell_angle_alpha   89.70317241
_cell_angle_beta   89.89938420
_cell_angle_gamma   87.61303520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   451.50926380
_cell_formula_units_Z   1
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  0.99171000  0.16955100  0.41204000  1.0
  Mn  Mn1  1  0.02395000  0.83159600  0.23888800  1.0
  Mn  Mn2  1  0.00129300  0.15813300  0.08174500  1.0
  Mn  Mn3  1  0.03106800  0.14652200  0.74746000  1.0
  Mn  Mn4  1  0.00463500  0.84428800  0.58472900  1.0
  Mn  Mn5  1  0.01273100  0.84235000  0.90976400  1.0
  Mn  Mn6  1  0.47861700  0.31023300  0.58974600  1.0
  Mn  Mn7  1  0.52944400  0.33693300  0.92607100  1.0
  Mn  Mn8  1  0.51541000  0.33353800  0.25692500  1.0
  Mn  Mn9  1  0.49841300  0.65609200  0.08354300  1.0
  Mn  Mn10  1  0.52328400  0.64744700  0.41620200  1.0
  Mn  Mn11  1  0.48726000  0.66898300  0.75355700  1.0
  O  O12  1  0.20456000  0.09946500  0.64336700  1.0
  O  O13  1  0.22561900  0.88848900  0.12742700  1.0
  O  O14  1  0.22416300  0.89211800  0.80291200  1.0
  O  O15  1  0.72564700  0.38895600  0.03759800  1.0
  O  O16  1  0.72760400  0.39881100  0.36664900  1.0
  F  F17  1  0.22014500  0.11005600  0.30419300  1.0
  F  F18  1  0.21276600  0.12507200  0.97134300  1.0
  F  F19  1  0.24128200  0.88882000  0.46854000  1.0
  F  F20  1  0.25504500  0.39166300  0.14624100  1.0
  F  F21  1  0.27100900  0.61759800  0.31238800  1.0
  F  F22  1  0.26568000  0.39353000  0.47518800  1.0
  F  F23  1  0.26560400  0.59668900  0.64277900  1.0
  F  F24  1  0.28096100  0.39638600  0.81319200  1.0
  F  F25  1  0.27766200  0.61904900  0.97670300  1.0
  F  F26  1  0.70948700  0.62457800  0.19230400  1.0
  F  F27  1  0.72983100  0.61589600  0.53138200  1.0
  F  F28  1  0.73089800  0.61617900  0.86301300  1.0
  F  F29  1  0.74037100  0.38296300  0.70117700  1.0
  F  F30  1  0.77617100  0.11362400  0.18756500  1.0
  F  F31  1  0.76022000  0.10712400  0.52165000  1.0
  F  F32  1  0.77033100  0.88857700  0.35441300  1.0
  F  F33  1  0.75893200  0.89272500  0.01712500  1.0
  F  F34  1  0.78533700  0.12638300  0.85104400  1.0
  F  F35  1  0.74286100  0.87958400  0.69113600  1.0