data_[Pr4Cd2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3678]
_cell_length_b [4.0207]
_cell_length_c [7.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2CdCl8]
_chemical_formula_sum '[Pr4 Cd2 Cl16]'
_cell_volume [671.7161]
_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  0.1570  0.0000  0.3310  1
  Cd  Cd1  2  0.0000  0.5000  0.0000  1
  Cl  Cl2  4  0.0159  0.0000  0.2249  1
  Cl  Cl3  4  0.1121  0.5000  0.5182  1
  Cl  Cl4  4  0.1277  0.5000  0.0585  1
  Cl  Cl5  4  0.2439  0.0000  0.6700  1
]