# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62142000
_cell_length_b   4.63328000
_cell_length_c   9.56206000
_cell_angle_alpha   90.00000000
_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   204.74601152
_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  0.77789500  0.01777800  0.66731300  1.0
  Mn  Mn1  1  0.77789500  0.01777800  0.33268700  1.0
  Mn  Mn2  1  0.72422900  0.95354900  0.00000000  1.0
  Mn  Mn3  1  0.22210500  0.51777800  0.83268700  1.0
  Mn  Mn4  1  0.27577100  0.45354900  0.50000000  1.0
  Mn  Mn5  1  0.22210500  0.51777800  0.16731300  1.0
  O  O6  1  0.92659100  0.81151100  0.17077600  1.0
  O  O7  1  0.92659100  0.81151100  0.82922400  1.0
  O  O8  1  0.40945900  0.69092800  0.00000000  1.0
  O  O9  1  0.07340900  0.31151100  0.67077600  1.0
  O  O10  1  0.07340900  0.31151100  0.32922400  1.0
  O  O11  1  0.59054100  0.19092800  0.50000000  1.0
  F  F12  1  0.99816000  0.78119400  0.50000000  1.0
  F  F13  1  0.47721500  0.70787500  0.65956800  1.0
  F  F14  1  0.47721500  0.70787500  0.34043200  1.0
  F  F15  1  0.00184000  0.28119400  0.00000000  1.0
  F  F16  1  0.52278500  0.20787500  0.15956800  1.0
  F  F17  1  0.52278500  0.20787500  0.84043200  1.0