data_[Pr2Cl8]
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 [P-1]
_cell_length_a [7.2455]
_cell_length_b [7.4336]
_cell_length_c [7.5357]
_cell_angle_alpha [72.4099]
_cell_angle_beta [74.2221]
_cell_angle_gamma [65.5467]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrCl4]
_chemical_formula_sum '[Pr2 Cl8]'
_cell_volume [347.1157]
_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  0.3256  0.8240  0.9963  1.0
  Cl  Cl1  2  0.0512  0.0997  0.7602  1.0
  Cl  Cl2  2  0.1389  0.5140  0.9222  1.0
  Cl  Cl3  2  0.4115  0.9826  0.2386  1.0
  Cl  Cl4  2  0.4767  0.4467  0.2511  1.0
]