data_[Nd4Sc4Mo8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4547]
_cell_length_b [9.6334]
_cell_length_c [6.3890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdSc(MoN3)2]
_chemical_formula_sum '[Nd4 Sc4 Mo8 N24]'
_cell_volume [635.6778]
_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  0.0000  0.0986  0.2500  1.0
  Sc  Sc1  4  0.0000  0.2766  0.7500  1.0
  Mo  Mo2  8  0.2060  0.4165  0.1776  1.0
  N  N3  8  0.1151  0.1136  0.6792  1.0
  N  N4  8  0.1204  0.2566  0.1358  1.0
  N  N5  8  0.1468  0.4634  0.8617  1.0
]