data_MnOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   5.12
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   109.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnOF2
_chemical_formula_sum   'Mn4 O4 F8'
_cell_volume   258.47
_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  0.55  0.34  0.23  1.0
  Mn  Mn1  1  0.42  0.22  0.42  1.0
  Mn  Mn2  1  0.24  0.9  0.96  1.0
  Mn  Mn3  1  0.11  0.78  0.15  1.0
  O  O4  1  0.23  0.0  0.22  1.0
  O  O5  1  0.36  0.67  0.03  1.0
  O  O6  1  0.3  0.45  0.36  1.0
  O  O7  1  0.43  0.11  0.17  1.0
  F  F8  1  0.61  0.09  0.68  1.0
  F  F9  1  0.48  0.47  0.87  1.0
  F  F10  1  0.05  0.62  0.56  1.0
  F  F11  1  0.92  0.05  0.75  1.0
  F  F12  1  0.74  0.06  0.63  1.0
  F  F13  1  0.61  0.49  0.82  1.0
  F  F14  1  0.17  0.65  0.51  1.0
  F  F15  1  0.04  0.03  0.7  1.0

data_MnOF2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.12
_cell_length_b   6.77
_cell_length_c   7.92
_cell_angle_alpha   109.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnOF2
_chemical_formula_sum   'Mn4 O4 F8'
_cell_volume   258.47
_cell_formula_units_Z   4
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  0.16  0.23  0.09  1.0
  Mn  Mn1  2  0.28  0.04  0.22  1.0
  O  O2  2  0.05  0.97  0.1  1.0
  O  O3  2  0.39  0.17  0.97  1.0
  F  F4  2  0.01  0.44  0.41  1.0
  F  F5  2  0.03  0.49  0.29  1.0
  F  F6  2  0.41  0.68  0.16  1.0
  F  F7  2  0.44  0.63  0.28  1.0

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