data_[Pr2N1Cl1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.0589]
_cell_length_b [4.0589]
_cell_length_c [7.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pr2NClO]
_chemical_formula_sum '[Pr2 N1 Cl1 O1]'
_cell_volume [103.6081]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.6916  1.0
  Pr  Pr1  1  0.6667  0.3333  0.3038  1.0
  N  N2  1  0.3333  0.6667  0.3740  1.0
  Cl  Cl3  1  0.0000  0.0000  0.9869  1.0
  O  O4  1  0.6667  0.3333  0.6437  1.0
]