data_[Pr8N2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7020]
_cell_length_b [3.8445]
_cell_length_c [8.1117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6919]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4NCl5]
_chemical_formula_sum '[Pr8 N2 Cl10]'
_cell_volume [533.9942]
_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  0.0017  0.0000  0.7895  1.0
  Pr  Pr1  4  0.1443  0.5000  0.0850  1.0
  N  N2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.1633  0.0000  0.3509  1.0
  Cl  Cl4  4  0.1716  0.0000  0.8372  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]