data_Mn2O2F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   6.93
_cell_angle_alpha   106.94
_cell_angle_beta   106.94
_cell_angle_gamma   54.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2O2F3
_chemical_formula_sum   'Mn4 O4 F6'
_cell_volume   163.72
_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  0.6  0.96  0.04  1.0
  Mn  Mn1  1  0.73  0.04  0.77  1.0
  Mn  Mn2  1  0.9  0.96  0.79  1.0
  Mn  Mn3  1  0.03  0.04  0.51  1.0
  O  O4  1  0.53  0.87  0.17  1.0
  O  O5  1  0.96  0.87  0.65  1.0
  O  O6  1  0.67  0.13  0.9  1.0
  O  O7  1  0.1  0.13  0.38  1.0
  F  F8  1  0.66  0.43  0.25  1.0
  F  F9  1  0.53  0.57  0.53  1.0
  F  F10  1  0.38  0.62  0.64  1.0
  F  F11  1  0.25  0.38  0.91  1.0
  F  F12  1  0.1  0.43  0.03  1.0
  F  F13  1  0.97  0.57  0.3  1.0

data_Mn2O2F3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.05
_cell_length_b   5.56
_cell_length_c   6.93
_cell_angle_alpha   106.94
_cell_angle_beta   90.0
_cell_angle_gamma   117.02
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn2O2F3
_chemical_formula_sum   'Mn4 O4 F6'
_cell_volume   163.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.26  0.73  1.0
  Mn  Mn1  2  0.04  0.96  0.99  1.0
  O  O2  2  0.13  0.41  0.6  1.0
  O  O3  2  0.13  0.98  0.12  1.0
  F  F4  2  0.38  0.82  0.14  1.0
  F  F5  2  0.43  0.28  0.47  1.0
  F  F6  2  0.43  0.71  0.25  1.0

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