data_[Na1Nd1B1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.6655]
_cell_length_b [4.1842]
_cell_length_c [5.8615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaNdBN2]
_chemical_formula_sum '[Na1 Nd1 B1 N2]'
_cell_volume [88.4588]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.5000  0.5000  0.0000  1
  Nd  Nd1  1  0.5000  0.0000  0.5000  1
  B  B2  1  0.0000  0.0000  0.0000  1
  N  N3  2  0.0891  0.0000  0.7868  1
]