data_[Ac3Y3C9N18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8115]
_cell_length_b [6.8115]
_cell_length_c [15.1778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AcY(CN2)3]
_chemical_formula_sum '[Ac3 Y3 C9 N18]'
_cell_volume [609.8519]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4192  1
  Y  Y1  3  0.0000  0.0000  0.0595  1
  C  C2  9  0.0901  0.3661  0.8991  1
  N  N3  9  0.0046  0.4780  0.6394  1
  N  N4  9  0.0318  0.2905  0.1588  1
]