data_[Nd4S4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2326]
_cell_length_b [4.1265]
_cell_length_c [9.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdSN]
_chemical_formula_sum '[Nd4 S4 N4]'
_cell_volume [286.4602]
_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  0.1593  0.0000  0.1820  1
  S  S1  4  0.1765  0.0000  0.6823  1
  N  N2  4  0.0682  0.5000  0.9639  1
]