data_[Nd8Se4S2N4]
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
  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 [15.4242]
_cell_length_b [4.0243]
_cell_length_c [7.2284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4Se2SN2]
_chemical_formula_sum '[Nd8 Se4 S2 N4]'
_cell_volume [428.0142]
_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
[
  Nd  Nd0  4  0.0419  0.5000  0.7605  1.0
  Nd  Nd1  4  0.2109  0.0000  0.1686  1.0
  Se  Se2  4  0.1273  0.0000  0.5372  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  N  N4  4  0.1739  0.5000  0.9879  1.0
]