data_[Pm16C4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [7.4049]
_cell_length_b [7.4049]
_cell_length_c [10.5024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Pm4CN2]
_chemical_formula_sum '[Pm16 C4 N8]'
_cell_volume [575.8662]
_cell_formula_units_Z [4]
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  8  0.0184  0.2540  0.7550  1
  Pm  Pm1  8  0.2544  0.4916  0.9906  1
  C  C2  4  0.0000  0.2586  0.0000  1
  N  N3  4  0.2482  0.2482  0.3750  1
  N  N4  4  0.2572  0.5000  0.7500  1
]