# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06374000
_cell_length_b   4.82366600
_cell_length_c   19.01583647
_cell_angle_alpha   84.90525571
_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   279.91448136
_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  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn1  1  0.00000000  0.94569100  0.25104100  1.0
  Mn  Mn2  1  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn3  1  0.00000000  0.05430900  0.74895900  1.0
  Mn  Mn4  1  0.50000000  0.40605000  0.12523000  1.0
  Mn  Mn5  1  0.50000000  0.47485300  0.37621600  1.0
  Mn  Mn6  1  0.50000000  0.52514700  0.62378400  1.0
  Mn  Mn7  1  0.50000000  0.59395000  0.87477000  1.0
  O  O8  1  0.50000000  0.84021000  0.95300000  1.0
  O  O9  1  0.00000000  0.70802800  0.57430700  1.0
  O  O10  1  0.00000000  0.66266300  0.32725700  1.0
  O  O11  1  0.00000000  0.75773300  0.82426300  1.0
  O  O12  1  0.00000000  0.24226700  0.17573700  1.0
  O  O13  1  0.00000000  0.29197200  0.42569300  1.0
  O  O14  1  0.00000000  0.33733700  0.67274300  1.0
  O  O15  1  0.50000000  0.15979000  0.04700000  1.0
  F  F16  1  0.50000000  0.75383500  0.20068400  1.0
  F  F17  1  0.50000000  0.80910100  0.45250100  1.0
  F  F18  1  0.50000000  0.85114400  0.70363500  1.0
  F  F19  1  0.00000000  0.63784700  0.07942300  1.0
  F  F20  1  0.00000000  0.36215300  0.92057700  1.0
  F  F21  1  0.50000000  0.14885600  0.29636500  1.0
  F  F22  1  0.50000000  0.19089900  0.54749900  1.0
  F  F23  1  0.50000000  0.24616500  0.79931600  1.0