# generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.70325497
_cell_length_b   5.70324296
_cell_length_c   5.70325665
_cell_angle_alpha   115.56810891
_cell_angle_beta   66.21292606
_cell_angle_gamma   80.49805932
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOF
_chemical_formula_sum   'Mn4 O4 F4'
_cell_volume   139.60528875
_cell_formula_units_Z   4
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  0.49999200  0.75000300  0.25001200  1.0
  Mn  Mn1  1  0.00000200  0.00071300  0.00071300  1.0
  Mn  Mn2  1  0.00000000  0.49928500  0.49928500  1.0
  Mn  Mn3  1  0.50000100  0.25000100  0.74999900  1.0
  O  O4  1  0.30328300  0.99949600  0.69621300  1.0
  O  O5  1  0.30328300  0.50050300  0.19722000  1.0
  O  O6  1  0.69671800  0.99949600  0.30277800  1.0
  O  O7  1  0.69671800  0.50050300  0.80378500  1.0
  F  F8  1  0.18659300  0.56340700  0.74999900  1.0
  F  F9  1  0.18639900  0.06360100  0.24999900  1.0
  F  F10  1  0.81340800  0.93659200  0.74999900  1.0
  F  F11  1  0.81360200  0.43639800  0.24999900  1.0