data_[Nd6B4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [3.5570]
_cell_length_b [6.3084]
_cell_length_c [10.8533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3(BN2)2]
_chemical_formula_sum '[Nd6 B4 N8]'
_cell_volume [243.5372]
_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  0.0000  0.5000  0.2018  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.1430  0.5000  1.0
  N  N3  8  0.0000  0.2562  0.3810  1.0
]