# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89529900
_cell_length_b   5.85148841
_cell_length_c   15.96797693
_cell_angle_alpha   90.53419621
_cell_angle_beta   90.17606808
_cell_angle_gamma   92.28664602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   457.01247423
_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  0.02465000  0.80621400  0.57341200  1.0
  Mn  Mn1  1  0.98915800  0.14467800  0.75010700  1.0
  Mn  Mn2  1  0.97090500  0.83784300  0.91531700  1.0
  Mn  Mn3  1  0.01704000  0.85436000  0.25003500  1.0
  Mn  Mn4  1  0.01288100  0.17603200  0.41360000  1.0
  Mn  Mn5  1  0.01060500  0.16942200  0.09314000  1.0
  Mn  Mn6  1  0.48417300  0.63837300  0.41645600  1.0
  Mn  Mn7  1  0.50801600  0.66822900  0.07553400  1.0
  Mn  Mn8  1  0.50975100  0.68067500  0.75450200  1.0
  Mn  Mn9  1  0.51912300  0.35212800  0.91726900  1.0
  Mn  Mn10  1  0.49406200  0.34712900  0.58260700  1.0
  Mn  Mn11  1  0.47255400  0.34185000  0.25237200  1.0
  O  O12  1  0.22304700  0.12670600  0.19984800  1.0
  O  O13  1  0.29730500  0.59241000  0.52186000  1.0
  O  O14  1  0.28235700  0.39464900  0.35727800  1.0
  O  O15  1  0.71770700  0.62031000  0.96737500  1.0
  O  O16  1  0.78684300  0.89057200  0.81265000  1.0
  F  F17  1  0.23576100  0.89349800  0.69104100  1.0
  F  F18  1  0.23187500  0.88924400  0.36300800  1.0
  F  F19  1  0.20096200  0.87692800  0.02201100  1.0
  F  F20  1  0.23906300  0.10895000  0.86917600  1.0
  F  F21  1  0.23319200  0.10098300  0.52680500  1.0
  F  F22  1  0.26275600  0.60240700  0.86066200  1.0
  F  F23  1  0.26591900  0.38983300  0.69760500  1.0
  F  F24  1  0.26636000  0.62574000  0.18505400  1.0
  F  F25  1  0.27490600  0.38066500  0.02567700  1.0
  F  F26  1  0.72744200  0.38210600  0.80425000  1.0
  F  F27  1  0.74065400  0.61033300  0.64277100  1.0
  F  F28  1  0.75281600  0.38667600  0.47636400  1.0
  F  F29  1  0.70624100  0.38297800  0.14677200  1.0
  F  F30  1  0.71794100  0.61696900  0.30551300  1.0
  F  F31  1  0.76002000  0.87432600  0.46540000  1.0
  F  F32  1  0.76212700  0.11307200  0.63433700  1.0
  F  F33  1  0.76745300  0.12859800  0.98287800  1.0
  F  F34  1  0.77156100  0.88326100  0.14096100  1.0
  F  F35  1  0.76277600  0.11185100  0.30635400  1.0