data_[Ba4Nd2Re4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [10.9808]
_cell_length_b [6.2581]
_cell_length_c [7.3857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Nd(ReN3)2]
_chemical_formula_sum '[Ba4 Nd2 Re4 N12]'
_cell_volume [422.5040]
_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
[
  Ba  Ba0  4  0.2142  0.5000  0.1885  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Re  Re2  4  0.0352  0.0000  0.1988  1.0
  N  N3  8  0.0523  0.2375  0.7799  1.0
  N  N4  4  0.2319  0.0000  0.3618  1.0
]