data_K2UCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.84
_cell_length_b   8.75
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2UCl5
_chemical_formula_sum   'K8 U4 Cl20'
_cell_volume   902.64
_cell_formula_units_Z   4
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
  K  K20  1  0.22  0.42  0.43  1.0
  K  K21  1  0.22  0.7  0.43  1.0
  K  K22  1  0.64  0.42  0.63  1.0
  K  K23  1  0.64  0.7  0.63  1.0
  K  K24  1  0.19  0.04  0.41  1.0
  K  K25  1  0.19  0.33  0.41  1.0
  K  K26  1  0.61  0.04  0.61  1.0
  K  K27  1  0.61  0.33  0.61  1.0
  U  U28  1  0.04  0.19  0.59  1.0
  U  U29  1  0.46  0.19  0.47  1.0
  U  U30  1  0.37  0.56  0.57  1.0
  U  U31  1  0.79  0.56  0.45  1.0
  Cl  Cl0  1  0.49  0.19  0.63  1.0
  Cl  Cl1  1  0.53  0.56  0.07  1.0
  Cl  Cl2  1  0.03  0.74  0.35  1.0
  Cl  Cl3  1  0.03  0.38  0.35  1.0
  Cl  Cl4  1  0.19  0.19  0.34  1.0
  Cl  Cl5  1  0.78  0.19  0.71  1.0
  Cl  Cl6  1  0.45  0.74  0.71  1.0
  Cl  Cl7  1  0.45  0.38  0.71  1.0
  Cl  Cl8  1  0.11  0.56  0.99  1.0
  Cl  Cl9  1  0.08  0.19  0.43  1.0
  Cl  Cl10  1  0.76  0.56  0.61  1.0
  Cl  Cl11  1  0.72  0.19  0.05  1.0
  Cl  Cl12  1  0.39  0.37  0.33  1.0
  Cl  Cl13  1  0.39  0.01  0.33  1.0
  Cl  Cl14  1  0.06  0.56  0.33  1.0
  Cl  Cl15  1  0.64  0.56  0.69  1.0
  Cl  Cl16  1  0.81  0.37  0.69  1.0
  Cl  Cl17  1  0.81  0.01  0.69  1.0
  Cl  Cl18  1  0.31  0.19  0.97  1.0
  Cl  Cl19  1  0.34  0.56  0.41  1.0

data_K2UCl5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.04
_cell_length_b   8.75
_cell_length_c   12.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2UCl5
_chemical_formula_sum   'K8 U4 Cl20'
_cell_volume   902.64
_cell_formula_units_Z   4
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
  K  K0  2  0.09  0.17  0.69  1.0
  K  K1  2  0.09  0.46  0.69  1.0
  K  K2  2  0.11  0.54  0.72  1.0
  K  K3  2  0.11  0.83  0.72  1.0
  U  U4  2  0.05  0.69  0.46  1.0
  U  U5  2  0.07  0.31  0.13  1.0
  Cl  Cl6  2  0.09  0.69  0.84  1.0
  Cl  Cl7  2  0.11  0.31  0.58  1.0
  Cl  Cl8  2  0.17  0.13  0.89  1.0
  Cl  Cl9  2  0.17  0.49  0.89  1.0
  Cl  Cl10  2  0.17  0.69  0.72  1.0
  Cl  Cl11  2  0.19  0.51  0.53  1.0
  Cl  Cl12  2  0.19  0.87  0.53  1.0
  Cl  Cl13  2  0.19  0.31  0.86  1.0
  Cl  Cl14  2  0.45  0.31  0.39  1.0
  Cl  Cl15  2  0.47  0.69  0.19  1.0

K K K K K K K K U U U U Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl