data_[La8Nd4Re4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Cmcm]
_cell_length_a [3.5592]
_cell_length_b [12.2316]
_cell_length_c [12.3861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La2NdReN4]
_chemical_formula_sum '[La8 Nd4 Re4 N16]'
_cell_volume [539.2230]
_cell_formula_units_Z [4]
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
[
  La  La0  8  0.0000  0.3678  0.5397  1
  Nd  Nd1  4  0.0000  0.1215  0.7500  1
  Re  Re2  4  0.0000  0.1506  0.2500  1
  N  N3  8  0.0000  0.2716  0.1405  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4220  0.7500  1
]