data_UI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   126.96
_cell_angle_beta   126.96
_cell_angle_gamma   78.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UI3
_chemical_formula_sum   'U1 I3'
_cell_volume   132.42
_cell_formula_units_Z   1
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
  U  U3  1  0.0  0.0  0.64  1.0
  I  I0  1  0.67  0.0  0.32  1.0
  I  I1  1  0.0  0.67  0.32  1.0
  I  I2  1  0.0  0.0  0.0  1.0

data_UI3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   5.98
_cell_angle_alpha   90.0
_cell_angle_beta   129.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   UI3
_chemical_formula_sum   'U2 I6'
_cell_volume   264.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  U  U0  2  0.0  0.0  0.64  1.0
  I  I1  4  0.16  0.16  0.65  1.0
  I  I2  2  0.0  0.0  0.0  1.0

U I I I