# generated using pymatgen
data_Mn12O17F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56980828
_cell_length_b   5.57819130
_cell_length_c   15.10623611
_cell_angle_alpha   90.01769999
_cell_angle_beta   88.81869408
_cell_angle_gamma   89.21422005
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O17F7
_chemical_formula_sum   'Mn12 O17 F7'
_cell_volume   384.95894919
_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  0.02148000  0.16486400  0.41057500  1.0
  Mn  Mn1  1  0.01615100  0.83229300  0.24573200  1.0
  Mn  Mn2  1  0.01402700  0.16510400  0.08221100  1.0
  Mn  Mn3  1  0.02552400  0.16515200  0.74345800  1.0
  Mn  Mn4  1  0.01643700  0.83713300  0.57667800  1.0
  Mn  Mn5  1  0.04177200  0.84456800  0.91549900  1.0
  Mn  Mn6  1  0.49412100  0.36103800  0.58656900  1.0
  Mn  Mn7  1  0.48655900  0.35363900  0.92432900  1.0
  Mn  Mn8  1  0.49128900  0.36383100  0.25505800  1.0
  Mn  Mn9  1  0.49464500  0.63448400  0.08874800  1.0
  Mn  Mn10  1  0.49394500  0.63406000  0.42071200  1.0
  Mn  Mn11  1  0.48268000  0.63659100  0.74878800  1.0
  O  O12  1  0.22810700  0.10937600  0.30052200  1.0
  O  O13  1  0.22897400  0.10971500  0.63158900  1.0
  O  O14  1  0.22250200  0.10994800  0.97225300  1.0
  O  O15  1  0.22697500  0.88614700  0.13632800  1.0
  O  O16  1  0.22989400  0.88838800  0.46678900  1.0
  O  O17  1  0.23803900  0.89360600  0.79862100  1.0
  O  O18  1  0.27548700  0.40021600  0.14852500  1.0
  O  O19  1  0.27377000  0.59836000  0.31554100  1.0
  O  O20  1  0.27608900  0.40017400  0.48053700  1.0
  O  O21  1  0.26938400  0.59960300  0.64519100  1.0
  O  O22  1  0.27557400  0.40592600  0.81443700  1.0
  O  O23  1  0.27765900  0.60491800  0.98171900  1.0
  O  O24  1  0.72749500  0.38689800  0.02795600  1.0
  O  O25  1  0.72566600  0.61099000  0.19487800  1.0
  O  O26  1  0.72666800  0.38405900  0.36056500  1.0
  O  O27  1  0.72570700  0.61322000  0.52682600  1.0
  O  O28  1  0.72088200  0.38355100  0.69332900  1.0
  F  F29  1  0.73943300  0.62900700  0.85729200  1.0
  F  F30  1  0.75074100  0.12545400  0.19244400  1.0
  F  F31  1  0.75535000  0.12731500  0.52310500  1.0
  F  F32  1  0.75550000  0.87026300  0.35797400  1.0
  F  F33  1  0.74869300  0.87267000  0.02670900  1.0
  F  F34  1  0.76486200  0.12631200  0.85918300  1.0
  F  F35  1  0.75792100  0.87112700  0.68933000  1.0