# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88054700
_cell_length_b   5.86318013
_cell_length_c   15.95311867
_cell_angle_alpha   89.39107149
_cell_angle_beta   89.74371261
_cell_angle_gamma   87.34892970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   455.98892805
_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  0.04489800  0.19858400  0.42505900  1.0
  Mn  Mn1  1  0.98645300  0.85340300  0.25031400  1.0
  Mn  Mn2  1  0.97274400  0.16109600  0.08468400  1.0
  Mn  Mn3  1  0.99249700  0.16427100  0.74646600  1.0
  Mn  Mn4  1  0.99080600  0.83705900  0.58358200  1.0
  Mn  Mn5  1  0.01728000  0.83971900  0.90501700  1.0
  Mn  Mn6  1  0.50708500  0.35152400  0.58800500  1.0
  Mn  Mn7  1  0.50717600  0.33149200  0.92483500  1.0
  Mn  Mn8  1  0.51175100  0.32108000  0.24491500  1.0
  Mn  Mn9  1  0.52105000  0.64943500  0.08098900  1.0
  Mn  Mn10  1  0.49354600  0.64550700  0.41707800  1.0
  Mn  Mn11  1  0.49024400  0.65200200  0.75232700  1.0
  O  O12  1  0.22142700  0.88270500  0.80017000  1.0
  O  O13  1  0.30952500  0.40096500  0.48234700  1.0
  O  O14  1  0.71866900  0.37364300  0.03195500  1.0
  O  O15  1  0.70461100  0.38941700  0.69539900  1.0
  O  O16  1  0.78483300  0.10920400  0.18791400  1.0
  F  F17  1  0.23745000  0.10353000  0.30772500  1.0
  F  F18  1  0.22351500  0.11976300  0.63674200  1.0
  F  F19  1  0.20477300  0.12317600  0.97811400  1.0
  F  F20  1  0.23580600  0.89174100  0.13098300  1.0
  F  F21  1  0.23724000  0.89231600  0.47342300  1.0
  F  F22  1  0.26280100  0.39685000  0.13961300  1.0
  F  F23  1  0.26250900  0.60503500  0.30267300  1.0
  F  F24  1  0.26495300  0.61253800  0.64416100  1.0
  F  F25  1  0.26155500  0.38274700  0.81428700  1.0
  F  F26  1  0.27261600  0.62286400  0.97109300  1.0
  F  F27  1  0.72863300  0.61832800  0.19567000  1.0
  F  F28  1  0.74202300  0.38501300  0.35708200  1.0
  F  F29  1  0.74207600  0.60838100  0.52731900  1.0
  F  F30  1  0.72404500  0.60995700  0.85998200  1.0
  F  F31  1  0.77039800  0.12069500  0.52904900  1.0
  F  F32  1  0.75931200  0.87527500  0.36487800  1.0
  F  F33  1  0.77787700  0.86974500  0.01349400  1.0
  F  F34  1  0.76998600  0.11131800  0.85874900  1.0
  F  F35  1  0.74783400  0.88962100  0.69390600  1.0