data_[Pr8H4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9567]
_cell_length_b [3.9978]
_cell_length_c [6.9789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2HCl2]
_chemical_formula_sum '[Pr8 H4 Cl8]'
_cell_volume [553.4892]
_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
[
  Pr  Pr0  4  0.1754  0.0000  0.8917  1
  Pr  Pr1  4  0.1757  0.5000  0.3936  1
  H  H2  4  0.2066  0.0000  0.5687  1
  Cl  Cl3  4  0.0871  0.5000  0.6947  1
  Cl  Cl4  4  0.0896  0.0000  0.1977  1
]