data_IF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   104.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IF7
_chemical_formula_sum   'I2 F14'
_cell_volume   295.29
_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
  I  I0  1  0.0  0.0  0.5  1.0
  I  I1  1  0.89  0.0  0.91  1.0
  F  F2  1  0.57  0.1  0.92  1.0
  F  F3  1  0.71  0.77  0.62  1.0
  F  F4  1  0.97  0.77  0.04  1.0
  F  F5  1  0.92  0.88  0.49  1.0
  F  F6  1  0.87  0.12  0.49  1.0
  F  F7  1  0.02  0.54  0.49  1.0
  F  F8  1  0.76  0.46  0.49  1.0
  F  F9  1  0.47  0.9  0.34  1.0
  F  F10  1  0.0  0.0  0.6  1.0
  F  F11  1  0.82  0.23  0.04  1.0
  F  F12  1  0.89  0.0  0.01  1.0
  F  F13  1  0.32  0.1  0.34  1.0
  F  F14  1  0.22  0.9  0.92  1.0
  F  F15  1  0.07  0.23  0.62  1.0

data_IF7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   9.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IF7
_chemical_formula_sum   'I2 F14'
_cell_volume   295.29
_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
  I  I0  1  0.0  0.5  0.0  1.0
  I  I1  1  0.0  0.91  0.89  1.0
  F  F2  1  0.0  0.01  0.89  1.0
  F  F3  1  0.0  0.6  0.0  1.0
  F  F4  1  0.1  0.34  0.32  1.0
  F  F5  1  0.1  0.92  0.57  1.0
  F  F6  1  0.12  0.49  0.87  1.0
  F  F7  1  0.23  0.04  0.82  1.0
  F  F8  1  0.23  0.62  0.07  1.0
  F  F9  1  0.46  0.49  0.76  1.0
  F  F10  1  0.54  0.49  0.02  1.0
  F  F11  1  0.77  0.04  0.97  1.0
  F  F12  1  0.77  0.62  0.71  1.0
  F  F13  1  0.88  0.49  0.92  1.0
  F  F14  1  0.9  0.34  0.47  1.0
  F  F15  1  0.9  0.92  0.22  1.0

I I F F F F F F F F F F F F F F