data_[Nd4Si4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [10.2859]
_cell_length_b [3.7845]
_cell_length_c [5.9361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Si2N5]
_chemical_formula_sum '[Nd4 Si4 N10]'
_cell_volume [225.2723]
_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  0.1084  0.5000  0.3250  1
  Si  Si1  4  0.1512  0.0000  0.8917  1
  N  N2  4  0.1461  0.0000  0.5960  1
  N  N3  4  0.1751  0.5000  0.9469  1
  N  N4  2  0.0000  0.0000  0.0000  1
]