# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85546900
_cell_length_b   5.83439330
_cell_length_c   15.96927801
_cell_angle_alpha   89.39367071
_cell_angle_beta   89.80497707
_cell_angle_gamma   89.00694603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   452.29351818
_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  0.01577500  0.82784200  0.41133600  1.0
  Mn  Mn1  1  0.97576500  0.16456800  0.23772000  1.0
  Mn  Mn2  1  0.01266200  0.83553700  0.08009500  1.0
  Mn  Mn3  1  0.95466500  0.82840700  0.75111900  1.0
  Mn  Mn4  1  0.99444600  0.14576000  0.58767900  1.0
  Mn  Mn5  1  0.00678700  0.15980000  0.91730800  1.0
  Mn  Mn6  1  0.52153500  0.68372200  0.58688000  1.0
  Mn  Mn7  1  0.49532500  0.65691100  0.91833800  1.0
  Mn  Mn8  1  0.48552600  0.66298100  0.25561100  1.0
  Mn  Mn9  1  0.51579800  0.34866400  0.08265200  1.0
  Mn  Mn10  1  0.48120400  0.35016800  0.41630900  1.0
  Mn  Mn11  1  0.50268200  0.35987500  0.75177000  1.0
  O  O12  1  0.78443800  0.89221200  0.64557000  1.0
  O  O13  1  0.77717600  0.12104400  0.12921200  1.0
  O  O14  1  0.69449800  0.62310200  0.80765500  1.0
  O  O15  1  0.30011000  0.60852600  0.02837400  1.0
  O  O16  1  0.28248300  0.59735400  0.36694600  1.0
  F  F17  1  0.77602200  0.88873600  0.30433000  1.0
  F  F18  1  0.77596800  0.87651100  0.97037400  1.0
  F  F19  1  0.75595800  0.11258700  0.46865600  1.0
  F  F20  1  0.75497700  0.12233000  0.81058500  1.0
  F  F21  1  0.74475200  0.61095700  0.14607300  1.0
  F  F22  1  0.72840800  0.37811600  0.30966500  1.0
  F  F23  1  0.73631300  0.60488500  0.47389000  1.0
  F  F24  1  0.73255400  0.39052600  0.63964300  1.0
  F  F25  1  0.73848300  0.38905500  0.97454200  1.0
  F  F26  1  0.28251300  0.38264800  0.18984000  1.0
  F  F27  1  0.27050000  0.37976800  0.53093700  1.0
  F  F28  1  0.26843100  0.39251700  0.86310200  1.0
  F  F29  1  0.25661300  0.61181500  0.69155100  1.0
  F  F30  1  0.22534400  0.88781500  0.19178600  1.0
  F  F31  1  0.23606400  0.89708200  0.52366900  1.0
  F  F32  1  0.22572300  0.11580500  0.35281100  1.0
  F  F33  1  0.25930800  0.10596200  0.02402800  1.0
  F  F34  1  0.20014700  0.86923600  0.85604300  1.0
  F  F35  1  0.23104900  0.11717300  0.70390400  1.0