data_U3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U3Cl
_chemical_formula_sum   'U6 Cl2'
_cell_volume   151.54
_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
  U  U2  1  0.0  0.69  0.89  1.0
  U  U3  1  0.44  0.18  0.89  1.0
  U  U4  1  0.56  0.18  0.89  1.0
  U  U5  1  0.9  0.34  0.3  1.0
  U  U6  1  0.46  0.85  0.3  1.0
  U  U7  1  0.34  0.85  0.3  1.0
  Cl  Cl0  1  0.0  0.35  0.3  1.0
  Cl  Cl1  1  0.9  0.68  0.89  1.0

data_U3Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.19
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   U3Cl
_chemical_formula_sum   'U6 Cl2'
_cell_volume   151.54
_cell_formula_units_Z   2
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
  U  U0  2  0.2  0.01  0.83  1.0
  U  U1  2  0.2  0.45  0.32  1.0
  U  U2  2  0.2  0.89  0.83  1.0
  Cl  Cl3  2  0.2  0.55  0.34  1.0

U U U U U U Cl Cl