# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78120200
_cell_length_b   5.72463208
_cell_length_c   16.00249135
_cell_angle_alpha   90.09302970
_cell_angle_beta   90.30160239
_cell_angle_gamma   92.53723864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   437.56194257
_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  0.01909200  0.82391800  0.58135200  1.0
  Mn  Mn1  1  0.01289200  0.16330000  0.75875200  1.0
  Mn  Mn2  1  0.99400400  0.84491100  0.92078500  1.0
  Mn  Mn3  1  0.04745500  0.82882100  0.24352100  1.0
  Mn  Mn4  1  0.01975100  0.16716500  0.42504800  1.0
  Mn  Mn5  1  0.01344400  0.15990200  0.09079700  1.0
  Mn  Mn6  1  0.47916400  0.66291600  0.42321400  1.0
  Mn  Mn7  1  0.50680500  0.65020400  0.07985400  1.0
  Mn  Mn8  1  0.52481700  0.66640100  0.73856500  1.0
  Mn  Mn9  1  0.48990700  0.35026600  0.91593900  1.0
  Mn  Mn10  1  0.49251200  0.34672300  0.58101900  1.0
  Mn  Mn11  1  0.48653600  0.34504900  0.24485300  1.0
  O  O12  1  0.22057000  0.11569800  0.86952800  1.0
  O  O13  1  0.23381300  0.10300500  0.53354500  1.0
  O  O14  1  0.23570000  0.11261800  0.19365100  1.0
  O  O15  1  0.26371800  0.59537700  0.52627100  1.0
  O  O16  1  0.29962200  0.60224100  0.18539400  1.0
  O  O17  1  0.70996500  0.61818300  0.97159300  1.0
  O  O18  1  0.73634000  0.60446100  0.62985800  1.0
  F  F19  1  0.21728500  0.88757500  0.69750300  1.0
  F  F20  1  0.22931300  0.89299000  0.36066500  1.0
  F  F21  1  0.22232700  0.87874600  0.02894000  1.0
  F  F22  1  0.25570100  0.61305800  0.85565600  1.0
  F  F23  1  0.26961400  0.38518800  0.69440600  1.0
  F  F24  1  0.26206400  0.39998200  0.35596100  1.0
  F  F25  1  0.26493400  0.38447800  0.02332900  1.0
  F  F26  1  0.71762500  0.38534400  0.80869700  1.0
  F  F27  1  0.71971100  0.38595900  0.46673100  1.0
  F  F28  1  0.74406600  0.39276900  0.13645600  1.0
  F  F29  1  0.73322200  0.61612800  0.30379200  1.0
  F  F30  1  0.76413100  0.88831700  0.81299200  1.0
  F  F31  1  0.76782800  0.88986000  0.47310000  1.0
  F  F32  1  0.75884100  0.11098900  0.64341700  1.0
  F  F33  1  0.76044000  0.11869800  0.98094900  1.0
  F  F34  1  0.76742900  0.88212900  0.13903300  1.0
  F  F35  1  0.75936400  0.12663000  0.30483200  1.0