# generated using pymatgen
data_Mn12O17F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54354500
_cell_length_b   5.57343027
_cell_length_c   15.09533410
_cell_angle_alpha   90.15206674
_cell_angle_beta   90.82413567
_cell_angle_gamma   90.23346318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O17F7
_chemical_formula_sum   'Mn12 O17 F7'
_cell_volume   382.21700328
_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  0.97973200  0.83531800  0.41294400  1.0
  Mn  Mn1  1  0.97397300  0.16264600  0.24632400  1.0
  Mn  Mn2  1  0.98589800  0.83669900  0.07902800  1.0
  Mn  Mn3  1  0.97358400  0.83777800  0.74150700  1.0
  Mn  Mn4  1  0.97787000  0.16716400  0.57789700  1.0
  Mn  Mn5  1  0.99654700  0.15585600  0.90815900  1.0
  Mn  Mn6  1  0.50364500  0.64964800  0.91907900  1.0
  Mn  Mn7  1  0.50248200  0.63438200  0.58783100  1.0
  Mn  Mn8  1  0.50695300  0.63884700  0.25650800  1.0
  Mn  Mn9  1  0.49847400  0.36467500  0.09306100  1.0
  Mn  Mn10  1  0.50492300  0.36454600  0.42143800  1.0
  Mn  Mn11  1  0.50508100  0.36507800  0.75408100  1.0
  O  O12  1  0.76814300  0.88846500  0.30195000  1.0
  O  O13  1  0.76672400  0.88852500  0.63297400  1.0
  O  O14  1  0.78695400  0.88930900  0.96709100  1.0
  O  O15  1  0.77065900  0.11164900  0.13626400  1.0
  O  O16  1  0.77017100  0.11107500  0.46711700  1.0
  O  O17  1  0.76469100  0.11097100  0.79941000  1.0
  O  O18  1  0.72393000  0.59890600  0.48114100  1.0
  O  O19  1  0.72276700  0.60113800  0.14915800  1.0
  O  O20  1  0.72328000  0.40184000  0.31487800  1.0
  O  O21  1  0.72185500  0.40108200  0.64660900  1.0
  O  O22  1  0.72807400  0.59962200  0.81236300  1.0
  O  O23  1  0.27836900  0.61343000  0.02897200  1.0
  O  O24  1  0.27113800  0.38713000  0.19586200  1.0
  O  O25  1  0.27207100  0.61484400  0.36180200  1.0
  O  O26  1  0.27096000  0.38558300  0.52704100  1.0
  O  O27  1  0.28237100  0.37869100  0.86155300  1.0
  O  O28  1  0.26950500  0.61325300  0.69307800  1.0
  F  F29  1  0.74847500  0.38085100  0.98828100  1.0
  F  F30  1  0.24223300  0.87228100  0.19233500  1.0
  F  F31  1  0.24272000  0.87222400  0.52500300  1.0
  F  F32  1  0.24085400  0.12832900  0.35789400  1.0
  F  F33  1  0.25486600  0.12773500  0.02482300  1.0
  F  F34  1  0.23016800  0.88027000  0.84717200  1.0
  F  F35  1  0.23985700  0.13015900  0.68937000  1.0