data_[Nd4Th8Fe4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Th  1.3000  1.8000  1.0800
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6150]
_cell_length_b [11.8221]
_cell_length_c [11.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdTh2FeN4]
_chemical_formula_sum '[Nd4 Th8 Fe4 N16]'
_cell_volume [508.7030]
_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
[
  Nd  Nd0  4  0.0000  0.0990  0.7500  1
  Th  Th1  8  0.0000  0.3680  0.5581  1
  Fe  Fe2  4  0.0000  0.1642  0.2500  1
  N  N3  8  0.0000  0.2668  0.1212  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4478  0.7500  1
]