data_[Nd8Se6N2]
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 [Cmmm]
_cell_length_a [8.3706]
_cell_length_b [11.6377]
_cell_length_c [4.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd4Se3N]
_chemical_formula_sum '[Nd8 Se6 N2]'
_cell_volume [391.4035]
_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  0.0000  0.2216  0.5000  1
  Nd  Nd1  4  0.2114  0.0000  0.0000  1
  Se  Se2  4  0.2500  0.2500  0.0000  1
  Se  Se3  2  0.0000  0.5000  0.5000  1
  N  N4  2  0.0000  0.0000  0.5000  1
]