# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07522800
_cell_length_b   4.81254200
_cell_length_c   14.26241745
_cell_angle_alpha   86.03401168
_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   210.57351042
_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  0.09299200  0.83525300  1.0
  Mn  Mn1  1  0.00000000  0.90700800  0.16474700  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn4  1  0.50000000  0.45493700  0.33342800  1.0
  Mn  Mn5  1  0.50000000  0.54506300  0.66657200  1.0
  O  O6  1  0.50000000  0.75178700  0.10328100  1.0
  O  O7  1  0.00000000  0.72040200  0.60055600  1.0
  O  O8  1  0.00000000  0.63680700  0.26765300  1.0
  O  O9  1  0.00000000  0.27959800  0.39944400  1.0
  O  O10  1  0.00000000  0.36319300  0.73234700  1.0
  O  O11  1  0.50000000  0.24821300  0.89671900  1.0
  F  F12  1  0.50000000  0.80067700  0.43598100  1.0
  F  F13  1  0.50000000  0.87876400  0.77529800  1.0
  F  F14  1  0.00000000  0.74186800  0.93591200  1.0
  F  F15  1  0.00000000  0.25813200  0.06408800  1.0
  F  F16  1  0.50000000  0.12123600  0.22470200  1.0
  F  F17  1  0.50000000  0.19932300  0.56401900  1.0