# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81745938
_cell_length_b   19.09254204
_cell_length_c   3.06123000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.10459686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOF
_chemical_formula_sum   'Mn8 O8 F8'
_cell_volume   279.40257555
_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  0.05323700  0.99872900  0.00000000  1.0
  Mn  Mn1  1  0.01166300  0.25126200  0.00000000  1.0
  Mn  Mn2  1  0.99675000  0.49937300  0.00000000  1.0
  Mn  Mn3  1  0.97103700  0.74915600  0.00000000  1.0
  Mn  Mn4  1  0.52384200  0.12740400  0.50000000  1.0
  Mn  Mn5  1  0.50349600  0.37544200  0.50000000  1.0
  Mn  Mn6  1  0.48862200  0.62320900  0.50000000  1.0
  Mn  Mn7  1  0.45084100  0.87423800  0.50000000  1.0
  O  O8  1  0.20022100  0.95232000  0.50000000  1.0
  O  O9  1  0.33232200  0.07765900  0.00000000  1.0
  O  O10  1  0.29387600  0.57520600  0.00000000  1.0
  O  O11  1  0.31051700  0.32615100  0.00000000  1.0
  O  O12  1  0.26984100  0.82565000  0.00000000  1.0
  O  O13  1  0.71557800  0.17543800  0.00000000  1.0
  O  O14  1  0.69774600  0.42430100  0.00000000  1.0
  O  O15  1  0.67789600  0.67356500  0.00000000  1.0
  F  F16  1  0.19895900  0.20270300  0.50000000  1.0
  F  F17  1  0.18724500  0.45252000  0.50000000  1.0
  F  F18  1  0.16788700  0.70436500  0.50000000  1.0
  F  F19  1  0.69436800  0.92417800  0.00000000  1.0
  F  F20  1  0.84635100  0.04166000  0.50000000  1.0
  F  F21  1  0.81979000  0.29772900  0.50000000  1.0
  F  F22  1  0.80818900  0.54711500  0.50000000  1.0
  F  F23  1  0.77972300  0.80062800  0.50000000  1.0