data_Mn3(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   7.14
_cell_angle_alpha   105.57
_cell_angle_beta   105.57
_cell_angle_gamma   76.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3(OF2)2
_chemical_formula_sum   'Mn6 O4 F8'
_cell_volume   220.43
_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  0.68  0.0  0.1  1.0
  Mn  Mn1  1  0.38  0.0  0.21  1.0
  Mn  Mn2  1  0.29  0.0  0.5  1.0
  Mn  Mn3  1  0.99  0.0  0.61  1.0
  Mn  Mn4  1  0.78  0.0  0.36  1.0
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.29  0.0  0.5  1.0
  O  O7  1  0.1  0.0  0.26  1.0
  O  O8  1  0.57  0.0  0.45  1.0
  O  O9  1  0.38  0.0  0.21  1.0
  F  F10  1  0.21  0.23  0.19  1.0
  F  F11  1  0.45  0.23  0.52  1.0
  F  F12  1  0.31  0.0  0.66  1.0
  F  F13  1  0.36  0.0  0.05  1.0
  F  F14  1  0.45  0.77  0.52  1.0
  F  F15  1  0.21  0.77  0.19  1.0
  F  F16  1  0.56  0.39  0.0  1.0
  F  F17  1  0.56  0.61  0.0  1.0

data_Mn3(OF2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   7.14
_cell_angle_alpha   74.43
_cell_angle_beta   74.43
_cell_angle_gamma   76.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3(OF2)2
_chemical_formula_sum   'Mn6 O4 F8'
_cell_volume   220.43
_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  0.01  0.0  0.61  1.0
  Mn  Mn2  1  0.22  0.0  0.36  1.0
  Mn  Mn3  1  0.32  0.0  0.1  1.0
  Mn  Mn4  1  0.62  0.0  0.21  1.0
  Mn  Mn5  1  0.71  0.0  0.5  1.0
  O  O6  1  0.43  0.0  0.45  1.0
  O  O7  1  0.62  0.0  0.21  1.0
  O  O8  1  0.71  0.0  0.5  1.0
  O  O9  1  0.9  0.0  0.26  1.0
  F  F10  1  0.44  0.39  0.0  1.0
  F  F11  1  0.44  0.61  0.0  1.0
  F  F12  1  0.55  0.23  0.52  1.0
  F  F13  1  0.55  0.77  0.52  1.0
  F  F14  1  0.64  0.0  0.05  1.0
  F  F15  1  0.69  0.0  0.66  1.0
  F  F16  1  0.79  0.23  0.19  1.0
  F  F17  1  0.79  0.77  0.19  1.0

Mn Mn Mn Mn Mn Mn O O O O F F F F F F F F 0 13 o o o 0 9 o o o 0 1 o o o 0 5 + o o 0 4 o o o 1 9 o o o 1 5 o o o 1 7 o o o 1 8 o o o 1 10 o o o 1 13 o o o 2 6 o o o 2 3 - o o 2 7 o o o 2 8 o o o 2 12 o o o 2 14 o - o 3 4 o o o 3 12 + o o 3 6 + o o 4 8 o o o 5 15 o - o 5 13 o o o 5 10 o o o 5 9 o o o 5 7 o o o 6 7 o o o 6 8 o o o 6 12 o o o 6 14 o - o 7 15 o - o 7 10 o o o 7 9 o o o 8 9 o o o 8 11 o o o 9 10 o o o 9 13 o o o 10 13 o o o 12 14 o - o 16 17 o o o 