# generated using pymatgen
data_Mn12O7F17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80039800
_cell_length_b   5.82536722
_cell_length_c   15.79508309
_cell_angle_alpha   88.57421061
_cell_angle_beta   89.62108532
_cell_angle_gamma   88.85892031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O7F17
_chemical_formula_sum   'Mn12 O7 F17'
_cell_volume   441.46239797
_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  0.95986200  0.17429400  0.58641300  1.0
  Mn  Mn1  1  0.00863200  0.84525600  0.75289300  1.0
  Mn  Mn2  1  0.01527300  0.16702700  0.92643800  1.0
  Mn  Mn3  1  0.99560000  0.15082500  0.24806800  1.0
  Mn  Mn4  1  0.96549500  0.81640200  0.41213900  1.0
  Mn  Mn5  1  0.97069400  0.85442600  0.08826000  1.0
  Mn  Mn6  1  0.50950600  0.35449000  0.41992100  1.0
  Mn  Mn7  1  0.50815200  0.33467900  0.07315000  1.0
  Mn  Mn8  1  0.51338700  0.34159800  0.75039400  1.0
  Mn  Mn9  1  0.47513900  0.63991300  0.91006500  1.0
  Mn  Mn10  1  0.50298400  0.65355200  0.58248100  1.0
  Mn  Mn11  1  0.52647400  0.66365400  0.24920300  1.0
  O  O12  1  0.77384000  0.12250900  0.69705700  1.0
  O  O13  1  0.79051800  0.12287000  0.03068500  1.0
  O  O14  1  0.78884600  0.88307800  0.19643900  1.0
  O  O15  1  0.70693300  0.39623800  0.52894700  1.0
  O  O16  1  0.71470900  0.59224900  0.35809600  1.0
  O  O17  1  0.29917900  0.38112900  0.96933300  1.0
  O  O18  1  0.29481800  0.60082200  0.80326700  1.0
  F  F19  1  0.75704700  0.10465900  0.35865900  1.0
  F  F20  1  0.75929300  0.87496900  0.86589600  1.0
  F  F21  1  0.75253300  0.89820400  0.52534200  1.0
  F  F22  1  0.75472000  0.37364300  0.85325800  1.0
  F  F23  1  0.74756000  0.61904400  0.69054700  1.0
  F  F24  1  0.72933400  0.38429400  0.18109000  1.0
  F  F25  1  0.72048100  0.62778400  0.01597100  1.0
  F  F26  1  0.27007700  0.38517100  0.64630000  1.0
  F  F27  1  0.24910000  0.62358800  0.47862000  1.0
  F  F28  1  0.27487700  0.61904400  0.13754400  1.0
  F  F29  1  0.27375500  0.38211000  0.30460200  1.0
  F  F30  1  0.24006200  0.10153900  0.81574000  1.0
  F  F31  1  0.21231900  0.14163500  0.47542800  1.0
  F  F32  1  0.22732000  0.89253000  0.63319400  1.0
  F  F33  1  0.21964500  0.87054600  0.98228400  1.0
  F  F34  1  0.25072700  0.11811900  0.14227800  1.0
  F  F35  1  0.24111300  0.88811000  0.31000000  1.0