data_[Nd6P2N2]
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/m]
_cell_length_a [6.7501]
_cell_length_b [4.0178]
_cell_length_c [10.4739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3PN]
_chemical_formula_sum '[Nd6 P2 N2]'
_cell_volume [279.9753]
_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  2  0.2198  0.2500  0.7353  1
  Nd  Nd1  2  0.2567  0.7500  0.0705  1
  Nd  Nd2  2  0.3307  0.2500  0.3954  1
  P  P3  2  0.0210  0.2500  0.1665  1
  N  N4  2  0.4915  0.2500  0.6272  1
]