data_[Nd10Se8N2]
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 [I4/m]
_cell_length_a [9.2279]
_cell_length_b [9.2279]
_cell_length_c [5.8666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Nd5Se4N]
_chemical_formula_sum '[Nd10 Se8 N2]'
_cell_volume [499.5719]
_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  8  0.0912  0.2593  0.0000  1
  Nd  Nd1  2  0.0000  0.0000  0.5000  1
  Se  Se2  8  0.0908  0.3069  0.5000  1
  N  N3  2  0.0000  0.0000  0.0000  1
]