data_Cs2PrCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.17
_cell_length_b   9.2
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2PrCl5
_chemical_formula_sum   'Cs8 Pr4 Cl20'
_cell_volume   1133.87
_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
  Cs  Cs0  1  0.44  0.06  0.24  1.0
  Cs  Cs1  1  0.73  0.15  0.46  1.0
  Cs  Cs2  1  0.65  0.15  0.89  1.0
  Cs  Cs3  1  0.73  0.66  0.46  1.0
  Cs  Cs4  1  0.52  0.06  0.81  1.0
  Cs  Cs5  1  0.44  0.54  0.24  1.0
  Cs  Cs6  1  0.52  0.54  0.81  1.0
  Cs  Cs7  1  0.65  0.66  0.89  1.0
  Pr  Pr8  1  0.04  0.9  0.11  1.0
  Pr  Pr9  1  0.12  0.3  0.59  1.0
  Pr  Pr10  1  0.04  0.3  0.76  1.0
  Pr  Pr11  1  0.13  0.9  0.93  1.0
  Cl  Cl12  1  0.73  0.9  0.97  1.0
  Cl  Cl13  1  0.44  0.3  0.73  1.0
  Cl  Cl14  1  0.36  0.3  0.31  1.0
  Cl  Cl15  1  0.81  0.9  0.38  1.0
  Cl  Cl16  1  0.11  0.37  0.36  1.0
  Cl  Cl17  1  0.06  0.84  0.33  1.0
  Cl  Cl18  1  0.98  0.84  0.01  1.0
  Cl  Cl19  1  0.06  0.97  0.33  1.0
  Cl  Cl20  1  0.19  0.37  0.68  1.0
  Cl  Cl21  1  0.11  0.24  0.36  1.0
  Cl  Cl22  1  0.19  0.24  0.68  1.0
  Cl  Cl23  1  0.98  0.97  0.01  1.0
  Cl  Cl24  1  0.91  0.9  0.29  1.0
  Cl  Cl25  1  0.25  0.3  0.4  1.0
  Cl  Cl26  1  0.17  0.3  0.95  1.0
  Cl  Cl27  1  1.0  0.9  0.75  1.0
  Cl  Cl28  1  0.67  0.9  0.66  1.0
  Cl  Cl29  1  0.5  0.3  0.04  1.0
  Cl  Cl30  1  0.41  0.3  0.31  1.0
  Cl  Cl31  1  0.75  0.9  0.39  1.0

data_Cs2PrCl5
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.7
_cell_length_b   9.2
_cell_length_c   14.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs2PrCl5
_chemical_formula_sum   'Cs8 Pr4 Cl20'
_cell_volume   1133.87
_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
  Cs  Cs0  2  0.04  0.54  0.06  1.0
  Cs  Cs1  2  0.04  0.06  0.06  1.0
  Cs  Cs2  2  0.39  0.46  0.85  1.0
  Cs  Cs3  2  0.39  0.94  0.85  1.0
  Pr  Pr4  2  0.09  0.3  0.54  1.0
  Pr  Pr5  2  0.26  0.3  0.46  1.0
  Cl  Cl6  2  0.1  0.7  0.59  1.0
  Cl  Cl7  2  0.12  0.3  0.14  1.0
  Cl  Cl8  2  0.17  0.24  0.39  1.0
  Cl  Cl9  2  0.17  0.37  0.39  1.0
  Cl  Cl10  2  0.19  0.7  0.91  1.0
  Cl  Cl11  2  0.45  0.3  0.33  1.0
  Cl  Cl12  2  0.46  0.7  0.83  1.0
  Cl  Cl13  2  0.47  0.7  0.77  1.0
  Cl  Cl14  2  0.49  0.37  0.48  1.0
  Cl  Cl15  2  0.49  0.24  0.48  1.0

Cs Cs Cs Cs Cs Cs Cs Cs Pr Pr Pr Pr Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl