# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79426500
_cell_length_b   5.80726100
_cell_length_c   15.86193875
_cell_angle_alpha   90.51606209
_cell_angle_beta   90.22276576
_cell_angle_gamma   90.55556632
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   441.57876876
_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  0.00698500  0.16473900  0.59198900  1.0
  Mn  Mn1  1  0.97151900  0.86101700  0.75742500  1.0
  Mn  Mn2  1  0.01436600  0.16341800  0.91920800  1.0
  Mn  Mn3  1  0.95218000  0.17189300  0.25131500  1.0
  Mn  Mn4  1  0.97133900  0.84033200  0.40950600  1.0
  Mn  Mn5  1  0.00544600  0.83429800  0.08343000  1.0
  Mn  Mn6  1  0.52389800  0.33522800  0.41204300  1.0
  Mn  Mn7  1  0.48697000  0.34395900  0.08111200  1.0
  Mn  Mn8  1  0.50919600  0.32844600  0.73999400  1.0
  Mn  Mn9  1  0.50487300  0.65610100  0.91234100  1.0
  Mn  Mn10  1  0.48025400  0.64966800  0.58397600  1.0
  Mn  Mn11  1  0.51622500  0.63570200  0.25339100  1.0
  O  O12  1  0.78571800  0.11714400  0.69636300  1.0
  O  O13  1  0.77187200  0.11027500  0.35687500  1.0
  O  O14  1  0.79252500  0.89397200  0.86564900  1.0
  O  O15  1  0.71476700  0.60071600  0.35781300  1.0
  O  O16  1  0.70199800  0.38662200  0.19401400  1.0
  O  O17  1  0.27739800  0.38702400  0.97061700  1.0
  O  O18  1  0.29092200  0.36689600  0.63848200  1.0
  F  F19  1  0.78068500  0.11950300  0.02611900  1.0
  F  F20  1  0.77046300  0.89954100  0.53170300  1.0
  F  F21  1  0.75401800  0.88806100  0.18994600  1.0
  F  F22  1  0.73574900  0.38739300  0.85007800  1.0
  F  F23  1  0.73878900  0.61768700  0.69168900  1.0
  F  F24  1  0.74691000  0.39666300  0.52631100  1.0
  F  F25  1  0.73200100  0.60683200  0.02487800  1.0
  F  F26  1  0.27041000  0.61341400  0.79893300  1.0
  F  F27  1  0.26012100  0.61229200  0.46788100  1.0
  F  F28  1  0.28128700  0.62470100  0.14669700  1.0
  F  F29  1  0.24574400  0.37726800  0.30901000  1.0
  F  F30  1  0.24925200  0.11987500  0.81332800  1.0
  F  F31  1  0.23874600  0.11234200  0.47620200  1.0
  F  F32  1  0.21974300  0.87189200  0.65073200  1.0
  F  F33  1  0.26006100  0.89460400  0.97753200  1.0
  F  F34  1  0.19940600  0.13515800  0.14495300  1.0
  F  F35  1  0.23816300  0.87532500  0.29846500  1.0