data_[Nd4Re6N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9098]
_cell_length_b [6.3739]
_cell_length_c [5.0819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Re3N8]
_chemical_formula_sum '[Nd4 Re6 N16]'
_cell_volume [357.9395]
_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  0.2366  0.5000  0.6592  1
  Re  Re1  4  0.0000  0.2966  0.0000  1
  Re  Re2  2  0.0000  0.0000  0.5000  1
  N  N3  8  0.1003  0.2232  0.3937  1
  N  N4  4  0.0977  0.0000  0.8978  1
  N  N5  4  0.1119  0.5000  0.9436  1
]