# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74312000
_cell_length_b   5.12794800
_cell_length_c   10.54310656
_cell_angle_alpha   62.05978242
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOF
_chemical_formula_sum   'Mn8 O8 F8'
_cell_volume   274.30622514
_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  0.15087100  0.74834500  0.99110800  1.0
  Mn  Mn1  1  0.84912900  0.25165500  0.00889200  1.0
  Mn  Mn2  1  0.40533600  0.00000000  0.25000000  1.0
  Mn  Mn3  1  0.69865700  0.50000000  0.25000000  1.0
  Mn  Mn4  1  0.84912900  0.74834500  0.49110800  1.0
  Mn  Mn5  1  0.15087100  0.25165500  0.50889200  1.0
  Mn  Mn6  1  0.30134300  0.50000000  0.75000000  1.0
  Mn  Mn7  1  0.59466400  0.00000000  0.75000000  1.0
  O  O8  1  0.91049000  0.47257500  0.11330700  1.0
  O  O9  1  0.64684900  0.92769400  0.14363000  1.0
  O  O10  1  0.64684900  0.07230600  0.35637000  1.0
  O  O11  1  0.91049000  0.52742500  0.38669300  1.0
  O  O12  1  0.08951000  0.47257500  0.61330700  1.0
  O  O13  1  0.35315100  0.92769400  0.64363000  1.0
  O  O14  1  0.35315100  0.07230600  0.85637000  1.0
  O  O15  1  0.08951000  0.52742500  0.88669300  1.0
  F  F16  1  0.15711600  0.95195100  0.12070900  1.0
  F  F17  1  0.41858600  0.46663000  0.12875500  1.0
  F  F18  1  0.41858600  0.53337000  0.37124500  1.0
  F  F19  1  0.15711600  0.04804900  0.37929100  1.0
  F  F20  1  0.84288400  0.95195100  0.62070900  1.0
  F  F21  1  0.58141400  0.46663000  0.62875500  1.0
  F  F22  1  0.58141400  0.53337000  0.87124500  1.0
  F  F23  1  0.84288400  0.04804900  0.87929100  1.0