data_[Nd16Bi4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9650]
_cell_length_b [12.6340]
_cell_length_c [13.1737]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd4BiN2]
_chemical_formula_sum '[Nd16 Bi4 N8]'
_cell_volume [659.9187]
_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  8  0.0000  0.2398  0.6015  1.0
  Nd  Nd1  4  0.0000  0.0844  0.2500  1.0
  Nd  Nd2  4  0.0000  0.5000  0.0000  1.0
  Bi  Bi3  4  0.0000  0.3926  0.2500  1.0
  N  N4  8  0.0000  0.1401  0.0597  1.0
]