data_[Nd12Pt8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1756]
_cell_length_b [5.8669]
_cell_length_c [7.5561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd3Pt2N]
_chemical_formula_sum '[Nd12 Pt8 N4]'
_cell_volume [559.5271]
_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  0.1389  0.0009  0.5695  1
  Nd  Nd1  4  0.0000  0.4603  0.2500  1
  Pt  Pt2  8  0.1752  0.4981  0.0874  1
  N  N3  4  0.0000  0.0441  0.2500  1
]