data_[Ac16Se16N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [23.0258]
_cell_length_b [6.3724]
_cell_length_c [9.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Se8N3]
_chemical_formula_sum '[Ac16 Se16 N6]'
_cell_volume [1291.3911]
_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  0.0320  0.5000  0.2931  1
  Ac  Ac1  4  0.1033  0.0000  0.9967  1
  Ac  Ac2  4  0.1781  0.0000  0.4425  1
  Ac  Ac3  4  0.2135  0.5000  0.8316  1
  Se  Se4  4  0.0389  0.0000  0.2576  1
  Se  Se5  4  0.0889  0.5000  0.9763  1
  Se  Se6  4  0.1753  0.5000  0.4766  1
  Se  Se7  4  0.2008  0.0000  0.8200  1
  N  N8  4  0.1907  0.0000  0.2023  1
  N  N9  2  0.0000  0.5000  0.5000  1
]