data_[Nd8Se8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1854]
_cell_length_b [15.2391]
_cell_length_c [7.6849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2Se2N]
_chemical_formula_sum '[Nd8 Se8 N4]'
_cell_volume [490.1587]
_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  0.1521  0.4670  1
  Nd  Nd1  4  0.0000  0.4433  0.5884  1
  Se  Se2  4  0.0000  0.0436  0.7916  1
  Se  Se3  4  0.0000  0.2078  0.1028  1
  N  N4  4  0.0000  0.4133  0.9158  1
]