data_[Pm6Nd6P6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [R-3m]
_cell_length_a [3.9919]
_cell_length_b [3.9919]
_cell_length_c [40.9906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PmNdPN]
_chemical_formula_sum '[Pm6 Nd6 P6 N6]'
_cell_volume [565.6739]
_cell_formula_units_Z [6]
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
[
  Pm  Pm0  6  0.0000  0.0000  0.2074  1
  Nd  Nd1  6  0.0000  0.0000  0.3800  1
  P  P2  3  -0.0000  -0.0000  0.5000  1
  P  P3  3  0.0000  0.0000  0.0000  1
  N  N4  6  0.0000  0.0000  0.2609  1
]