data_[Pr8Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.1145]
_cell_length_b [7.8806]
_cell_length_c [18.4745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pr4Cl9]
_chemical_formula_sum '[Pr8 Cl18]'
_cell_volume [2491.7031]
_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
[
  Pr  Pr0  4  0.2631  0.2500  0.4838  1
  Pr  Pr1  2  0.0104  0.0000  0.4848  1
  Pr  Pr2  2  0.0116  0.5000  0.4718  1
  Cl  Cl3  4  0.1076  0.2528  0.5453  1
  Cl  Cl4  4  0.4173  0.2394  0.5507  1
  Cl  Cl5  2  0.1675  0.5000  0.4012  1
  Cl  Cl6  2  0.2602  0.0000  0.5881  1
  Cl  Cl7  2  0.2616  0.5000  0.5886  1
  Cl  Cl8  2  0.3509  0.0000  0.4005  1
  Cl  Cl9  2  0.3621  0.5000  0.4053  1
]