data_UCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   7.07
_cell_length_c   9.78
_cell_angle_alpha   107.57
_cell_angle_beta   90.73
_cell_angle_gamma   116.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCl5
_chemical_formula_sum   'U2 Cl10'
_cell_volume   372.81
_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  U10  1  0.16  0.32  0.18  1.0
  U  U11  1  0.97  0.65  1.0  1.0
  Cl  Cl0  1  0.91  0.96  0.77  1.0
  Cl  Cl1  1  0.09  0.38  0.1  1.0
  Cl  Cl2  1  0.85  0.22  0.17  1.0
  Cl  Cl3  1  0.94  0.22  0.37  1.0
  Cl  Cl4  1  0.4  0.0  0.4  1.0
  Cl  Cl5  1  0.73  0.97  0.78  1.0
  Cl  Cl6  1  0.19  0.75  0.81  1.0
  Cl  Cl7  1  0.28  0.75  0.01  1.0
  Cl  Cl8  1  0.04  0.59  0.08  1.0
  Cl  Cl9  1  0.22  0.01  0.41  1.0

data_UCl5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.42
_cell_length_b   7.07
_cell_length_c   9.78
_cell_angle_alpha   107.57
_cell_angle_beta   90.73
_cell_angle_gamma   116.52
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UCl5
_chemical_formula_sum   'U2 Cl10'
_cell_volume   372.81
_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  0.1  0.83  0.09  1.0
  Cl  Cl1  2  0.02  0.9  0.01  1.0
  Cl  Cl2  2  0.12  0.26  0.72  1.0
  Cl  Cl3  2  0.16  0.53  0.32  1.0
  Cl  Cl4  2  0.21  0.27  0.92  1.0
  Cl  Cl5  2  0.34  0.52  0.31  1.0

U U Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl