data_[Ac4Ru4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1275]
_cell_length_b [4.3419]
_cell_length_c [7.8202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcRuN3]
_chemical_formula_sum '[Ac4 Ru4 N12]'
_cell_volume [369.3581]
_cell_formula_units_Z [4]
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  0.1595  0.0000  0.7928  1
  Ru  Ru1  4  0.0414  0.5000  0.1646  1
  N  N2  4  0.1085  0.5000  0.4031  1
  N  N3  4  0.1339  0.5000  0.9757  1
  N  N4  4  0.1482  0.5000  0.5569  1
]