data_[Nd4Re2Mo2N12]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6073]
_cell_length_b [5.6282]
_cell_length_c [9.6578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.4050]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2ReMoN6]
_chemical_formula_sum '[Nd4 Re2 Mo2 N12]'
_cell_volume [248.4249]
_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  0.2437  0.5343  0.7500  1
  Re  Re1  2  0.0000  0.0000  0.5000  1
  Mo  Mo2  2  0.5000  0.0000  0.0000  1
  N  N3  4  0.1804  0.7197  0.4637  1
  N  N4  4  0.2420  0.2159  0.4636  1
  N  N5  4  0.3150  0.5085  0.2478  1
]