data_[Ac12N8Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1371]
_cell_length_b [14.2253]
_cell_length_c [14.0852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac3N2Cl3]
_chemical_formula_sum '[Ac12 N8 Cl12]'
_cell_volume [828.9294]
_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  8  0.0000  0.3520  0.5382  1
  Ac  Ac1  4  0.0000  0.2994  0.2500  1
  N  N2  8  0.0000  0.2349  0.0872  1
  Cl  Cl3  8  0.0000  0.0587  0.6218  1
  Cl  Cl4  4  0.0000  0.3519  0.7500  1
]