data_UCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   107.58
_cell_angle_beta   107.58
_cell_angle_gamma   113.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCl4
_chemical_formula_sum   'U2 Cl8'
_cell_volume   272.51
_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  U0  1  0.0  0.0  0.0  1.0
  U  U1  1  0.0  0.18  0.95  1.0
  Cl  Cl2  1  0.6  0.18  0.43  1.0
  Cl  Cl3  1  0.18  0.58  0.38  1.0
  Cl  Cl4  1  0.18  0.6  0.57  1.0
  Cl  Cl5  1  0.77  0.0  0.52  1.0
  Cl  Cl6  1  0.6  0.0  0.52  1.0
  Cl  Cl7  1  0.0  0.58  0.46  1.0
  Cl  Cl8  1  0.58  0.0  0.32  1.0
  Cl  Cl9  1  0.18  0.42  0.38  1.0

data_UCl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   107.58
_cell_angle_beta   107.58
_cell_angle_gamma   113.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UCl4
_chemical_formula_sum   'U2 Cl8'
_cell_volume   272.51
_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  U0  1  0.0  0.0  0.0  1.0
  U  U1  1  0.95  0.76  0.95  1.0
  Cl  Cl2  1  0.19  0.96  0.38  1.0
  Cl  Cl3  1  0.19  0.79  0.38  1.0
  Cl  Cl4  1  0.39  0.97  0.57  1.0
  Cl  Cl5  1  0.46  0.88  0.46  1.0
  Cl  Cl6  1  0.74  0.32  0.32  1.0
  Cl  Cl7  1  0.75  0.52  0.52  1.0
  Cl  Cl8  1  0.83  0.25  0.43  1.0
  Cl  Cl9  1  0.92  0.52  0.52  1.0

U U Cl Cl Cl Cl Cl Cl Cl Cl
U U Cl Cl Cl Cl Cl Cl Cl Cl 0 1 o o - 2 8 o o o 3 4 o o o 3 9 o o o 4 7 o o o 5 6 o o o 6 8 o o o 