data_Mn2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2OF3
_chemical_formula_sum   'Mn4 O2 F6'
_cell_volume   161.92
_cell_formula_units_Z   2
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  0.55  0.69  0.43  1.0
  Mn  Mn1  1  0.1  0.0  0.43  1.0
  Mn  Mn2  1  0.45  0.69  0.43  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.0  0.58  0.18  1.0
  O  O5  1  0.1  0.79  0.68  1.0
  F  F6  1  0.41  0.5  0.25  1.0
  F  F7  1  0.0  0.74  0.25  1.0
  F  F8  1  0.59  0.5  0.25  1.0
  F  F9  1  0.51  0.87  0.61  1.0
  F  F10  1  0.1  0.63  0.61  1.0
  F  F11  1  0.69  0.87  0.61  1.0

data_Mn2OF3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.86
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2OF3
_chemical_formula_sum   'Mn4 O2 F6'
_cell_volume   161.92
_cell_formula_units_Z   2
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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.43  0.1  0.0  1.0
  Mn  Mn2  1  0.43  0.45  0.69  1.0
  Mn  Mn3  1  0.43  0.55  0.69  1.0
  O  O4  1  0.18  0.0  0.58  1.0
  O  O5  1  0.68  0.1  0.79  1.0
  F  F6  1  0.25  0.0  0.74  1.0
  F  F7  1  0.25  0.41  0.5  1.0
  F  F8  1  0.25  0.59  0.5  1.0
  F  F9  1  0.61  0.1  0.63  1.0
  F  F10  1  0.61  0.51  0.87  1.0
  F  F11  1  0.61  0.69  0.87  1.0

Mn Mn Mn Mn O O F F F F F F