data_[Pm4Nd8N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2820]
_cell_length_b [5.1451]
_cell_length_c [10.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PmNd2N3]
_chemical_formula_sum '[Pm4 Nd8 N12]'
_cell_volume [409.4401]
_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  0.1263  0.7500  0.0830  1
  Nd  Nd1  4  0.1265  0.7500  0.7503  1
  Nd  Nd2  4  0.1269  0.7500  0.4166  1
  N  N3  4  0.1271  0.2500  0.0829  1
  N  N4  4  0.1299  0.2500  0.7493  1
  N  N5  4  0.1318  0.2500  0.4178  1
]