data_[Nd4Fe4Si4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7988]
_cell_length_b [3.9190]
_cell_length_c [6.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Fe2Si2N]
_chemical_formula_sum '[Nd4 Fe4 Si4 N2]'
_cell_volume [231.5630]
_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  0.0597  0.5000  0.2954  1.0
  Fe  Fe1  4  0.1925  0.0000  0.0804  1.0
  Si  Si2  4  0.1721  0.0000  0.7278  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]