data_[Nd8Cr4Fe4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3066]
_cell_length_b [13.9553]
_cell_length_c [9.6611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2CrFeN5]
_chemical_formula_sum '[Nd8 Cr4 Fe4 N20]'
_cell_volume [445.8048]
_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  0.1289  0.6766  1
  Nd  Nd1  4  0.0000  0.1312  0.3063  1
  Cr  Cr2  4  0.0000  0.4276  0.4540  1
  Fe  Fe3  4  0.0000  0.2061  0.0176  1
  N  N4  4  0.0000  0.0554  0.0395  1
  N  N5  4  0.0000  0.2985  0.6423  1
  N  N6  4  0.0000  0.3090  0.3808  1
  N  N7  4  0.0000  0.3413  0.0020  1
  N  N8  4  0.0000  0.4912  0.3048  1
]