# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82324300
_cell_length_b   5.81488962
_cell_length_c   15.79341608
_cell_angle_alpha   89.53428859
_cell_angle_beta   89.60385266
_cell_angle_gamma   85.14741794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   441.34113446
_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  0.00501800  0.84952900  0.41610900  1.0
  Mn  Mn1  1  0.98909100  0.17133000  0.23689000  1.0
  Mn  Mn2  1  0.99489300  0.84435900  0.07982000  1.0
  Mn  Mn3  1  0.98327000  0.84987900  0.75570900  1.0
  Mn  Mn4  1  0.96809800  0.16394600  0.57885400  1.0
  Mn  Mn5  1  0.97552400  0.17654000  0.91324300  1.0
  Mn  Mn6  1  0.51417900  0.64961800  0.58633100  1.0
  Mn  Mn7  1  0.48668500  0.64335000  0.92742300  1.0
  Mn  Mn8  1  0.49140200  0.66806100  0.25994300  1.0
  Mn  Mn9  1  0.51665800  0.34603600  0.07980100  1.0
  Mn  Mn10  1  0.49241700  0.34078100  0.41819300  1.0
  Mn  Mn11  1  0.51908700  0.32942400  0.74704100  1.0
  O  O12  1  0.77635300  0.11178800  0.12895100  1.0
  O  O13  1  0.77339900  0.11508700  0.47039000  1.0
  O  O14  1  0.78327400  0.12736700  0.80779400  1.0
  O  O15  1  0.71636600  0.37654400  0.64302500  1.0
  O  O16  1  0.71339000  0.38731300  0.97393200  1.0
  O  O17  1  0.27698900  0.61276000  0.03117700  1.0
  O  O18  1  0.27751100  0.61460100  0.36711900  1.0
  F  F19  1  0.78190000  0.88980400  0.30515900  1.0
  F  F20  1  0.76571200  0.87689800  0.64273100  1.0
  F  F21  1  0.77400400  0.88084200  0.97200000  1.0
  F  F22  1  0.74859000  0.61466100  0.15120300  1.0
  F  F23  1  0.73328500  0.38165600  0.31234800  1.0
  F  F24  1  0.74713900  0.61419400  0.47414400  1.0
  F  F25  1  0.71371800  0.62762200  0.81787100  1.0
  F  F26  1  0.30036000  0.37772100  0.18932200  1.0
  F  F27  1  0.26912300  0.38904800  0.52720100  1.0
  F  F28  1  0.27211600  0.37608200  0.85025400  1.0
  F  F29  1  0.26277700  0.60897300  0.70015700  1.0
  F  F30  1  0.23128000  0.87908900  0.18612400  1.0
  F  F31  1  0.23208800  0.88878400  0.52941500  1.0
  F  F32  1  0.23835400  0.11045900  0.35236300  1.0
  F  F33  1  0.22185500  0.11817000  0.01596800  1.0
  F  F34  1  0.23371500  0.88104600  0.86680300  1.0
  F  F35  1  0.22037700  0.10663500  0.68519500  1.0