data_[Ac12Th9Ti3N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Th  1.3000  1.8000  1.0800
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.3086]
_cell_length_b [7.3086]
_cell_length_c [18.4796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac4Th3TiN8]
_chemical_formula_sum '[Ac12 Th9 Ti3 N24]'
_cell_volume [854.8525]
_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  9  0.0000  0.5000  0.5000  1
  Ac  Ac1  3  -0.0000  -0.0000  0.5000  1
  Th  Th2  9  0.0000  0.5000  0.0000  1
  Ti  Ti3  3  -0.0000  -0.0000  0.0000  1
  N  N4  18  0.0232  0.5116  0.7346  1
  N  N5  6  0.0000  0.0000  0.2623  1
]