data_[Ac8Ni2N2]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8500]
_cell_length_b [8.5372]
_cell_length_c [7.3701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ac4NiN]
_chemical_formula_sum '[Ac8 Ni2 N2]'
_cell_volume [430.9460]
_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  4  0.2665  0.5249  0.3324  1
  Ac  Ac1  2  0.2126  0.7500  0.8381  1
  Ac  Ac2  2  0.2886  0.2500  0.8250  1
  Ni  Ni3  2  0.4902  0.2500  0.4455  1
  N  N4  2  0.3651  0.7500  0.1255  1
]