data_SbOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbOF
_chemical_formula_sum   'Sb8 O8 F8'
_cell_volume   478.82
_cell_formula_units_Z   8
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
  Sb  Sb0  1  0.4  0.37  0.6  1.0
  Sb  Sb1  1  0.37  0.86  0.95  1.0
  Sb  Sb2  1  0.76  0.73  0.88  1.0
  Sb  Sb3  1  0.73  0.5  0.67  1.0
  Sb  Sb4  1  0.53  0.76  0.67  1.0
  Sb  Sb5  1  0.5  0.53  0.88  1.0
  Sb  Sb6  1  0.89  0.4  0.95  1.0
  Sb  Sb7  1  0.86  0.89  0.6  1.0
  O  O8  1  0.23  0.97  0.77  1.0
  O  O9  1  0.29  0.23  0.77  1.0
  O  O10  1  0.84  0.36  0.05  1.0
  O  O11  1  0.9  0.84  0.5  1.0
  O  O12  1  0.36  0.42  0.5  1.0
  O  O13  1  0.42  0.9  0.05  1.0
  O  O14  1  0.97  0.03  0.77  1.0
  O  O15  1  0.03  0.29  0.77  1.0
  F  F16  1  0.29  0.82  0.66  1.0
  F  F17  1  0.68  0.42  0.38  1.0
  F  F18  1  0.45  0.29  0.89  1.0
  F  F19  1  0.84  0.68  0.17  1.0
  F  F20  1  0.42  0.58  0.17  1.0
  F  F21  1  0.82  0.97  0.89  1.0
  F  F22  1  0.58  0.84  0.38  1.0
  F  F23  1  0.97  0.45  0.66  1.0

data_SbOF
_symmetry_space_group_name_H-M   P-4
_cell_length_a   10.26
_cell_length_b   10.26
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   81
_chemical_formula_structural   SbOF
_chemical_formula_sum   'Sb8 O8 F8'
_cell_volume   478.82
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'y, -x, -z'
  3  '-x, -y, z'
  4  '-y, x, -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
  Sb  Sb0  4  0.24  0.73  0.67  1.0
  Sb  Sb1  4  0.37  0.4  0.6  1.0
  O  O2  4  0.1  0.84  0.5  1.0
  O  O3  4  0.23  0.29  0.23  1.0
  F  F4  4  0.16  0.68  0.38  1.0
  F  F5  4  0.29  0.45  0.89  1.0

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