data_[Pm4I4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8037]
_cell_length_b [4.1427]
_cell_length_c [12.1345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmIN]
_chemical_formula_sum '[Pm4 I4 N4]'
_cell_volume [331.5993]
_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  4  0.1776  0.0000  0.3743  1
  I  I1  4  0.2490  0.5000  0.1851  1
  N  N2  4  0.0476  0.5000  0.4484  1
]