data_[Ac12Tl8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7097]
_cell_length_b [7.1292]
_cell_length_c [7.8381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac3Tl2N]
_chemical_formula_sum '[Ac12 Tl8 N4]'
_cell_volume [810.2881]
_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  0.1211  0.0933  0.6380  1
  Ac  Ac1  4  0.0000  0.3974  0.2500  1
  Tl  Tl2  8  0.1810  0.4095  0.0266  1
  N  N3  4  0.0000  0.0633  0.2500  1
]