data_[Ac2Nd1P2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  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 [P-3]
_cell_length_a [5.9366]
_cell_length_b [5.9366]
_cell_length_c [6.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ac2Nd(PN3)2]
_chemical_formula_sum '[Ac2 Nd1 P2 N6]'
_cell_volume [192.6299]
_cell_formula_units_Z [1]
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
[
  Ac  Ac0  2  0.3333  0.6667  0.3290  1
  Nd  Nd1  1  0.0000  0.0000  0.0000  1
  P  P2  2  0.3333  0.6667  0.8098  1
  N  N3  6  0.1108  0.3722  0.7575  1
]