# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.10399800
_cell_length_b   4.78788400
_cell_length_c   14.13417488
_cell_angle_alpha   87.75320936
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOF
_chemical_formula_sum   'Mn6 O6 F6'
_cell_volume   209.89471990
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.95269500  0.33247900  1.0
  Mn  Mn2  1  0.00000000  0.04730500  0.66752100  1.0
  Mn  Mn3  1  0.50000000  0.41038500  0.16757700  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn5  1  0.50000000  0.58961500  0.83242300  1.0
  O  O6  1  0.50000000  0.83272100  0.93486800  1.0
  O  O7  1  0.00000000  0.76255800  0.76787600  1.0
  O  O8  1  0.00000000  0.67630100  0.43420600  1.0
  O  O9  1  0.00000000  0.23744200  0.23212400  1.0
  O  O10  1  0.00000000  0.32369900  0.56579400  1.0
  O  O11  1  0.50000000  0.16727900  0.06513200  1.0
  F  F12  1  0.50000000  0.74027100  0.26435200  1.0
  F  F13  1  0.50000000  0.84287400  0.60632000  1.0
  F  F14  1  0.00000000  0.64248200  0.10552500  1.0
  F  F15  1  0.00000000  0.35751800  0.89447500  1.0
  F  F16  1  0.50000000  0.15712600  0.39368000  1.0
  F  F17  1  0.50000000  0.25972900  0.73564800  1.0