data_[Ac12Pr3Th9N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.5274]
_cell_length_b [7.5274]
_cell_length_c [18.6762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac4PrTh3N8]
_chemical_formula_sum '[Ac12 Pr3 Th9 N24]'
_cell_volume [916.4563]
_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
  Pr  Pr2  3  -0.0000  -0.0000  0.0000  1
  Th  Th3  9  0.0000  0.5000  0.0000  1
  N  N4  18  0.0105  0.5052  0.2595  1
  N  N5  6  0.0000  0.0000  0.2612  1
]