data_[Ac8Tl6N4]
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/m]
_cell_length_a [14.4429]
_cell_length_b [4.1330]
_cell_length_c [10.1844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac4Tl3N2]
_chemical_formula_sum '[Ac8 Tl6 N4]'
_cell_volume [581.5669]
_cell_formula_units_Z [2]
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  4  0.1331  0.0000  0.4453  1
  Ac  Ac1  4  0.2031  0.5000  0.1485  1
  Tl  Tl2  4  0.0829  0.5000  0.7663  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.2066  0.5000  0.3776  1
]