data_OsO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   4.8
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   98.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsO3F2
_chemical_formula_sum   'Os4 O12 F8'
_cell_volume   293.23
_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
  Os  Os20  1  0.95  0.35  0.54  1.0
  Os  Os21  1  0.4  0.75  0.29  1.0
  Os  Os22  1  0.06  0.05  0.37  1.0
  Os  Os23  1  0.51  0.46  0.12  1.0
  O  O8  1  0.92  0.48  0.07  1.0
  O  O9  1  0.26  0.85  0.11  1.0
  O  O10  1  0.68  0.61  0.42  1.0
  O  O11  1  0.66  0.01  0.41  1.0
  O  O12  1  0.09  0.45  0.72  1.0
  O  O13  1  0.43  0.88  0.76  1.0
  O  O14  1  0.03  0.92  0.89  1.0
  O  O15  1  0.37  0.36  0.93  1.0
  O  O16  1  0.79  0.79  0.25  1.0
  O  O17  1  0.78  0.19  0.24  1.0
  O  O18  1  0.2  0.96  0.55  1.0
  O  O19  1  0.54  0.32  0.59  1.0
  F  F0  1  0.52  0.93  0.3  1.0
  F  F1  1  0.9  0.58  0.38  1.0
  F  F2  1  0.45  0.17  0.44  1.0
  F  F3  1  0.82  0.33  0.53  1.0
  F  F4  1  0.63  0.47  0.12  1.0
  F  F5  1  0.01  0.63  0.21  1.0
  F  F6  1  0.56  0.23  0.27  1.0
  F  F7  1  0.94  0.87  0.36  1.0

data_OsO3F2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.8
_cell_length_b   5.24
_cell_length_c   11.79
_cell_angle_alpha   98.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   OsO3F2
_chemical_formula_sum   'Os4 O12 F8'
_cell_volume   293.23
_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
  Os  Os0  2  0.15  0.33  0.54  1.0
  Os  Os1  2  0.45  0.22  0.71  1.0
  O  O2  2  0.02  0.3  0.07  1.0
  O  O3  2  0.05  0.47  0.72  1.0
  O  O4  2  0.11  0.94  0.58  1.0
  O  O5  2  0.29  0.05  0.41  1.0
  O  O6  2  0.42  0.81  0.76  1.0
  O  O7  2  0.46  0.64  0.11  1.0
  F  F8  2  0.03  0.79  0.47  1.0
  F  F9  2  0.27  0.72  0.62  1.0
  F  F10  2  0.33  0.83  0.44  1.0
  F  F11  2  0.43  0.1  0.7  1.0

Os Os Os Os O O O O O O O O O O O O F F F F F F F F
Os Os Os Os O O O O O O O O O O O O F F F F F F F F 0 19 o o o 0 8 + o o 0 14 + - o 1 16 o o o 1 5 o o o 2 23 - - o 2 14 o - o 3 20 o o o 3 5 o o o 3 11 o o - 4 20 o o o 4 21 + o o 4 5 + o o 4 10 + o - 5 21 o o o 5 10 o o - 5 20 o o o 5 16 o o o 6 17 o o o 7 16 o - o 7 18 o o o 7 23 o - o 8 19 - o o 8 11 o o o 8 9 o o o 8 9 o - o 8 10 o o o 8 10 o - o 9 11 o o o 9 11 o + o 9 14 o o o 9 10 o o o 9 10 + o o 9 15 o + o 10 11 o o o 10 11 o + o 11 20 o o + 12 16 o o o 12 21 + o o 12 23 o o o 13 22 o o o 14 23 - o o 14 19 - + o 14 18 o + o 14 15 o + o 15 18 o o o 15 19 o o o 16 22 o + o 17 23 o o o 