data_[Pr2H2Cl8]
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 [P2_1/m]
_cell_length_a [5.4952]
_cell_length_b [8.6464]
_cell_length_c [7.9889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrHCl4]
_chemical_formula_sum '[Pr2 H2 Cl8]'
_cell_volume [365.6672]
_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  2  0.0352  0.7500  0.5849  1.0
  H  H1  2  0.0969  0.7500  0.0687  1.0
  Cl  Cl2  4  0.0651  0.0584  0.7084  1.0
  Cl  Cl3  2  0.2807  0.7500  0.9952  1.0
  Cl  Cl4  2  0.4420  0.2500  0.3564  1.0
]