data_[Pm6N2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0821]
_cell_length_b [3.7391]
_cell_length_c [10.9774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm3NCl3]
_chemical_formula_sum '[Pm6 N2 Cl6]'
_cell_volume [331.3704]
_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
[
  Pm  Pm0  2  0.0877  0.2500  0.3920  1
  Pm  Pm1  2  0.1314  0.2500  0.8423  1
  Pm  Pm2  2  0.3245  0.7500  0.6249  1
  N  N3  2  0.1221  0.2500  0.6185  1
  Cl  Cl4  2  0.1292  0.2500  0.1222  1
  Cl  Cl5  2  0.3769  0.7500  0.3677  1
  Cl  Cl6  2  0.3870  0.7500  0.8768  1
]