# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25262100
_cell_length_b   5.55749491
_cell_length_c   15.08342985
_cell_angle_alpha   83.21871826
_cell_angle_beta   89.65586079
_cell_angle_gamma   89.84281901
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   437.21752342
_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  0.89363800  0.04525500  0.00547000  1.0
  Mn  Mn1  1  0.01720200  0.38654200  0.82484900  1.0
  Mn  Mn2  1  0.00056500  0.88595900  0.66800900  1.0
  Mn  Mn3  1  0.02505500  0.42602100  0.49213200  1.0
  Mn  Mn4  1  0.97389000  0.89974200  0.33005300  1.0
  Mn  Mn5  1  0.95652500  0.50344400  0.16761200  1.0
  Mn  Mn6  1  0.50443900  0.03434700  0.83591600  1.0
  Mn  Mn7  1  0.56963700  0.49723900  0.99622800  1.0
  Mn  Mn8  1  0.52345100  0.58498100  0.33807100  1.0
  Mn  Mn9  1  0.50579700  0.08597600  0.49193000  1.0
  Mn  Mn10  1  0.51958600  0.54827400  0.67588300  1.0
  Mn  Mn11  1  0.47520600  0.06308900  0.16896900  1.0
  O  O12  1  0.76260000  0.27907700  0.07963500  1.0
  O  O13  1  0.70107600  0.81994200  0.25439800  1.0
  O  O14  1  0.72351400  0.27417200  0.91384100  1.0
  O  O15  1  0.83168600  0.60062900  0.74062100  1.0
  O  O16  1  0.82594000  0.64894100  0.41017400  1.0
  O  O17  1  0.34155500  0.38118100  0.42823200  1.0
  O  O18  1  0.33542500  0.34397800  0.76303300  1.0
  F  F19  1  0.84126400  0.10334300  0.75652600  1.0
  F  F20  1  0.85921200  0.78952500  0.92750800  1.0
  F  F21  1  0.83810000  0.14345800  0.42125800  1.0
  F  F22  1  0.67178800  0.83703500  0.58701000  1.0
  F  F23  1  0.60679000  0.77429800  0.07630300  1.0
  F  F24  1  0.64697700  0.33282400  0.25037100  1.0
  F  F25  1  0.71365300  0.34732700  0.57357900  1.0
  F  F26  1  0.27923200  0.37123400  0.08784400  1.0
  F  F27  1  0.37500500  0.69574700  0.91010400  1.0
  F  F28  1  0.20846400  0.61354800  0.59469000  1.0
  F  F29  1  0.21200500  0.63574700  0.26094500  1.0
  F  F30  1  0.17719400  0.12402000  0.57152700  1.0
  F  F31  1  0.20677800  0.18328800  0.92308700  1.0
  F  F32  1  0.13296700  0.13978900  0.24274100  1.0
  F  F33  1  0.30252800  0.88273800  0.40113100  1.0
  F  F34  1  0.09685500  0.86164700  0.09579100  1.0
  F  F35  1  0.34440000  0.85564500  0.73452300  1.0