# generated using pymatgen
data_Mn12O5F19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81618300
_cell_length_b   5.86798111
_cell_length_c   16.01007662
_cell_angle_alpha   90.28058563
_cell_angle_beta   90.25136381
_cell_angle_gamma   91.07411814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn12O5F19
_chemical_formula_sum   'Mn12 O5 F19'
_cell_volume   452.37564194
_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  0.05102700  0.81537700  0.57958900  1.0
  Mn  Mn1  1  0.98711200  0.17351300  0.75643200  1.0
  Mn  Mn2  1  0.00763900  0.86483600  0.91604100  1.0
  Mn  Mn3  1  0.98609200  0.83695700  0.25337000  1.0
  Mn  Mn4  1  0.99836500  0.15470000  0.41680100  1.0
  Mn  Mn5  1  0.02974900  0.16337100  0.09510900  1.0
  Mn  Mn6  1  0.50958600  0.64917100  0.41293400  1.0
  Mn  Mn7  1  0.50688100  0.65659800  0.07881500  1.0
  Mn  Mn8  1  0.50420400  0.64563000  0.75304400  1.0
  Mn  Mn9  1  0.50106700  0.32304400  0.90645500  1.0
  Mn  Mn10  1  0.50354900  0.35962600  0.58042000  1.0
  Mn  Mn11  1  0.48541600  0.34636800  0.24986300  1.0
  O  O12  1  0.20643900  0.12862400  0.85993500  1.0
  O  O13  1  0.22406000  0.11691000  0.20386800  1.0
  O  O14  1  0.31191300  0.60698000  0.51826500  1.0
  O  O15  1  0.70692700  0.37437400  0.80321200  1.0
  O  O16  1  0.69945700  0.61174400  0.30486700  1.0
  F  F17  1  0.22690400  0.89807600  0.70000900  1.0
  F  F18  1  0.22265900  0.87454800  0.36353800  1.0
  F  F19  1  0.23053200  0.88858300  0.02933300  1.0
  F  F20  1  0.24545600  0.10888500  0.52785400  1.0
  F  F21  1  0.26021000  0.62395300  0.86140300  1.0
  F  F22  1  0.25298100  0.40214200  0.68725800  1.0
  F  F23  1  0.26440500  0.38447800  0.35984200  1.0
  F  F24  1  0.24671200  0.60188100  0.18854400  1.0
  F  F25  1  0.28631400  0.37400700  0.01885000  1.0
  F  F26  1  0.73651900  0.60738600  0.96492900  1.0
  F  F27  1  0.74460100  0.62337400  0.64065300  1.0
  F  F28  1  0.74712400  0.39001600  0.47177200  1.0
  F  F29  1  0.72173400  0.38247000  0.14023300  1.0
  F  F30  1  0.75414900  0.88555200  0.80970700  1.0
  F  F31  1  0.77480700  0.88138200  0.47255000  1.0
  F  F32  1  0.77378500  0.13536400  0.64147200  1.0
  F  F33  1  0.77315100  0.11521300  0.98403900  1.0
  F  F34  1  0.77509300  0.88253400  0.14076600  1.0
  F  F35  1  0.74338600  0.11233200  0.30822600  1.0