data_[Nd12P4N2]
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 [P2_1/c]
_cell_length_a [6.5249]
_cell_length_b [7.5232]
_cell_length_c [11.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6P2N]
_chemical_formula_sum '[Nd12 P4 N2]'
_cell_volume [469.1594]
_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  0.1144  0.6752  0.9470  1
  Nd  Nd1  4  0.2959  0.2061  0.9392  1
  Nd  Nd2  4  0.4024  0.5342  0.7559  1
  P  P3  4  0.1804  0.6199  0.2419  1
  N  N4  2  0.5000  0.0000  0.5000  1
]