data_[Pm2Nd4Th6N12]
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
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9311]
_cell_length_b [3.6604]
_cell_length_c [7.2892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmNd2Th3N6]
_chemical_formula_sum '[Pm2 Nd4 Th6 N12]'
_cell_volume [414.1157]
_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  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1666  0.0000  0.3332  1
  Th  Th2  4  0.1665  0.0000  0.8335  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  N  N4  4  0.0036  0.0000  0.7443  1
  N  N5  4  0.1629  0.5000  0.5920  1
  N  N6  4  0.1689  0.5000  0.0739  1
]