data_[Ac6Th3Cr6N18]
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
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8164]
_cell_length_b [5.8164]
_cell_length_c [18.6291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Th(CrN3)2]
_chemical_formula_sum '[Ac6 Th3 Cr6 N18]'
_cell_volume [545.7897]
_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  6  0.0000  0.0000  0.2118  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Cr  Cr2  6  0.0000  0.0000  0.4065  1
  N  N3  18  0.0017  0.5008  0.2401  1
]