data_[Ac2Zr2Ni2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Zr  1.3300  1.5500  0.8600
  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 [7.2032]
_cell_length_b [3.3949]
_cell_length_c [7.5462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AcZrNiN3]
_chemical_formula_sum '[Ac2 Zr2 Ni2 N6]'
_cell_volume [177.4628]
_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  0.1971  0.7500  0.2242  1
  Zr  Zr1  2  0.3333  0.2500  0.8509  1
  Ni  Ni2  2  0.0934  0.7500  0.5929  1
  N  N3  2  0.1296  0.7500  0.8673  1
  N  N4  2  0.1848  0.2500  0.5143  1
  N  N5  2  0.4457  0.2500  0.1487  1
]