data_[Nd4Rh4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2873]
_cell_length_b [3.9941]
_cell_length_c [7.8491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdRhN3]
_chemical_formula_sum '[Nd4 Rh4 N12]'
_cell_volume [341.7586]
_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
[
  Nd  Nd0  4  0.1634  0.0000  0.8197  1.0
  Rh  Rh1  4  0.0483  0.5000  0.1663  1.0
  N  N2  4  0.1148  0.5000  0.4082  1.0
  N  N3  4  0.1398  0.5000  0.9729  1.0
  N  N4  4  0.1494  0.5000  0.5620  1.0
]