data_[Ac4Ni2P2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ni  1.9100  1.3500  0.7400
  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 [6.5927]
_cell_length_b [4.0525]
_cell_length_c [8.4527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac2NiPN]
_chemical_formula_sum '[Ac4 Ni2 P2 N2]'
_cell_volume [215.3610]
_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
[
  Ac  Ac0  2  0.2132  0.7500  0.3919  1
  Ac  Ac1  2  0.2292  0.7500  0.9645  1
  Ni  Ni2  2  0.4724  0.2500  0.2493  1
  P  P3  2  0.3325  0.2500  0.6983  1
  N  N4  2  0.1620  0.2500  0.1685  1
]