data_[Nd4P4N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9727]
_cell_length_b [6.2411]
_cell_length_c [6.8601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7154]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NdPN2]
_chemical_formula_sum '[Nd4 P4 N8]'
_cell_volume [266.6644]
_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  4  0.0000  0.1494  0.2500  1.0
  P  P1  4  0.0000  0.3481  0.7500  1.0
  N  N2  8  0.1258  0.2078  0.6472  1.0
]