# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08094300
_cell_length_b   4.81607000
_cell_length_c   18.94439552
_cell_angle_alpha   89.47525304
_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   281.08585547
_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  0.07348800  0.62500000  1.0
  Mn  Mn1  1  0.00000000  0.92651200  0.37500000  1.0
  Mn  Mn2  1  0.00000000  0.91923700  0.12575100  1.0
  Mn  Mn3  1  0.00000000  0.08076300  0.87424900  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn5  1  0.50000000  0.35178400  0.24901100  1.0
  Mn  Mn6  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn7  1  0.50000000  0.64821600  0.75098900  1.0
  O  O8  1  0.50000000  0.76389200  0.42488300  1.0
  O  O9  1  0.50000000  0.90370300  0.67470100  1.0
  O  O10  1  0.00000000  0.66277300  0.04956100  1.0
  O  O11  1  0.00000000  0.81229100  0.79914300  1.0
  O  O12  1  0.00000000  0.18770900  0.20085700  1.0
  O  O13  1  0.00000000  0.33722700  0.95043900  1.0
  O  O14  1  0.50000000  0.23610800  0.57511700  1.0
  O  O15  1  0.50000000  0.09629700  0.32529900  1.0
  F  F16  1  0.50000000  0.69217400  0.17543600  1.0
  F  F17  1  0.50000000  0.86592700  0.92072200  1.0
  F  F18  1  0.00000000  0.71075400  0.54826300  1.0
  F  F19  1  0.00000000  0.57301100  0.29531300  1.0
  F  F20  1  0.00000000  0.28924600  0.45173700  1.0
  F  F21  1  0.00000000  0.42698900  0.70468700  1.0
  F  F22  1  0.50000000  0.13407300  0.07927800  1.0
  F  F23  1  0.50000000  0.30782600  0.82456400  1.0