data_[Nd6B4Pt4N6]
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
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7822]
_cell_length_b [3.7822]
_cell_length_c [20.7061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nd3B2Pt2N3]
_chemical_formula_sum '[Nd6 B4 Pt4 N6]'
_cell_volume [296.2033]
_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  0.0000  0.3781  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.0000  0.1878  1.0
  Pt  Pt3  4  0.0000  0.5000  0.2500  1.0
  N  N4  4  0.0000  0.0000  0.1182  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]