# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85594000
_cell_length_b   5.81847264
_cell_length_c   16.05599197
_cell_angle_alpha   89.57078732
_cell_angle_beta   89.66757825
_cell_angle_gamma   86.43320988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   452.75055824
_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  0.01235800  0.83277600  0.41434700  1.0
  Mn  Mn1  1  0.97614900  0.16598100  0.23740700  1.0
  Mn  Mn2  1  0.99723000  0.84271600  0.08092300  1.0
  Mn  Mn3  1  0.97586500  0.85259200  0.75213000  1.0
  Mn  Mn4  1  0.98494700  0.17586200  0.58612400  1.0
  Mn  Mn5  1  0.99461200  0.17055600  0.90845400  1.0
  Mn  Mn6  1  0.50645500  0.64968000  0.58697200  1.0
  Mn  Mn7  1  0.47998100  0.66536000  0.92747900  1.0
  Mn  Mn8  1  0.48952400  0.67144300  0.25685400  1.0
  Mn  Mn9  1  0.49801800  0.34189100  0.08426500  1.0
  Mn  Mn10  1  0.47889100  0.34848400  0.41290300  1.0
  Mn  Mn11  1  0.52489200  0.33743300  0.74874700  1.0
  O  O12  1  0.77319200  0.11041600  0.12863200  1.0
  O  O13  1  0.78041200  0.12217100  0.80205100  1.0
  O  O14  1  0.71107400  0.38806700  0.64625000  1.0
  O  O15  1  0.27468600  0.61171100  0.03577300  1.0
  O  O16  1  0.27668300  0.60434700  0.36566000  1.0
  F  F17  1  0.77928500  0.89102300  0.30549700  1.0
  F  F18  1  0.77205900  0.88410200  0.63750500  1.0
  F  F19  1  0.78689100  0.88107700  0.97187000  1.0
  F  F20  1  0.75822500  0.11142700  0.46839300  1.0
  F  F21  1  0.74257300  0.60847400  0.14610200  1.0
  F  F22  1  0.73765300  0.60499700  0.47504900  1.0
  F  F23  1  0.73409500  0.38283300  0.31116100  1.0
  F  F24  1  0.72993100  0.62495600  0.81627300  1.0
  F  F25  1  0.72717800  0.38411300  0.97703000  1.0
  F  F26  1  0.28873200  0.37698400  0.19403900  1.0
  F  F27  1  0.29454300  0.37970500  0.85497900  1.0
  F  F28  1  0.26653700  0.38845500  0.52605200  1.0
  F  F29  1  0.25668500  0.60878800  0.70227600  1.0
  F  F30  1  0.22874600  0.10923200  0.35455500  1.0
  F  F31  1  0.22539200  0.88484700  0.18632100  1.0
  F  F32  1  0.22954000  0.88310000  0.85780800  1.0
  F  F33  1  0.23179900  0.89150500  0.52971300  1.0
  F  F34  1  0.24079100  0.11355600  0.01764000  1.0
  F  F35  1  0.23437900  0.09933500  0.69276600  1.0