# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64450794
_cell_length_b   4.64450794
_cell_length_c   12.68302000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.23754603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOF
_chemical_formula_sum   'Mn8 O8 F8'
_cell_volume   273.58883066
_cell_formula_units_Z   8
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  0.97134100  0.97134100  0.00000000  1.0
  Mn  Mn1  1  0.03874900  0.02132100  0.25000000  1.0
  Mn  Mn2  1  0.97134100  0.97134100  0.50000000  1.0
  Mn  Mn3  1  0.02132100  0.03874900  0.75000000  1.0
  Mn  Mn4  1  0.52467000  0.47298700  0.62457700  1.0
  Mn  Mn5  1  0.47298700  0.52467000  0.12457700  1.0
  Mn  Mn6  1  0.47298700  0.52467000  0.37542300  1.0
  Mn  Mn7  1  0.52467000  0.47298700  0.87542300  1.0
  O  O8  1  0.81776900  0.18001500  0.62248200  1.0
  O  O9  1  0.81776900  0.18001500  0.87751800  1.0
  O  O10  1  0.30249600  0.33394000  0.25000000  1.0
  O  O11  1  0.33394000  0.30249600  0.75000000  1.0
  O  O12  1  0.67508500  0.67508500  0.00000000  1.0
  O  O13  1  0.67508500  0.67508500  0.50000000  1.0
  O  O14  1  0.18001500  0.81776900  0.12248200  1.0
  O  O15  1  0.18001500  0.81776900  0.37751800  1.0
  F  F16  1  0.78459000  0.22275400  0.13138400  1.0
  F  F17  1  0.78459000  0.22275400  0.36861600  1.0
  F  F18  1  0.27559600  0.27559600  0.00000000  1.0
  F  F19  1  0.27559600  0.27559600  0.50000000  1.0
  F  F20  1  0.71228200  0.74159800  0.25000000  1.0
  F  F21  1  0.74159800  0.71228200  0.75000000  1.0
  F  F22  1  0.22275400  0.78459000  0.63138400  1.0
  F  F23  1  0.22275400  0.78459000  0.86861600  1.0