data_[Na4Nd2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [I-42m]
_cell_length_a [6.1652]
_cell_length_b [6.1652]
_cell_length_c [6.4055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Na2NdReN4]
_chemical_formula_sum '[Na4 Nd2 Re2 N8]'
_cell_volume [243.4707]
_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
[
  Na  Na0  4  0.0000  0.5000  0.2500  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Re  Re2  2  0.0000  0.0000  0.0000  1.0
  N  N3  8  0.1662  0.1662  0.1762  1.0
]