data_[Nd10Se10N4]
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 [C2/m]
_cell_length_a [13.5502]
_cell_length_b [4.0203]
_cell_length_c [11.1930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5Se5N2]
_chemical_formula_sum '[Nd10 Se10 N4]'
_cell_volume [588.1841]
_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  0.0955  0.0000  0.3671  1
  Nd  Nd1  4  0.1492  0.5000  0.7964  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.1646  0.5000  0.0729  1
  Se  Se4  4  0.2461  0.0000  0.6350  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
  N  N6  4  0.0458  0.0000  0.7989  1
]