data_[La2Nd2Re2N8]
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 [I4mm]
_cell_length_a [3.9235]
_cell_length_b [3.9235]
_cell_length_c [12.7238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LaNdReN4]
_chemical_formula_sum '[La2 Nd2 Re2 N8]'
_cell_volume [195.8672]
_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
[
  La  La0  2  0.0000  0.0000  0.6472  1.0
  Nd  Nd1  2  0.0000  0.0000  0.3539  1.0
  Re  Re2  2  0.0000  0.0000  0.0002  1.0
  N  N3  4  0.0000  0.5000  0.4992  1.0
  N  N4  2  0.0000  0.0000  0.1656  1.0
  N  N5  2  0.0000  0.0000  0.8348  1.0
]