data_[Ac16Si8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1011]
_cell_length_b [18.1143]
_cell_length_c [7.8857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ac2SiSe]
_chemical_formula_sum '[Ac16 Si8 Se8]'
_cell_volume [1064.8498]
_cell_formula_units_Z [8]
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  0.2369  0.0628  0.2408  1
  Ac  Ac1  8  0.2456  0.1877  0.7411  1
  Si  Si2  4  0.0000  0.0650  0.7500  1
  Si  Si3  4  0.0000  0.1899  0.2500  1
  Se  Se4  4  0.0000  0.3143  0.7500  1
  Se  Se5  4  0.0000  0.4394  0.2500  1
]