data_[Ac4Al4Ag8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2419]
_cell_length_b [11.9120]
_cell_length_c [8.0683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AcAl(AgSe2)2]
_chemical_formula_sum '[Ac4 Al4 Ag8 Se16]'
_cell_volume [823.1414]
_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  4  0.2500  0.2500  0.0000  1
  Al  Al1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.5000  0.0000  1
  Ag  Ag3  4  0.2500  0.2500  0.5000  1
  Se  Se4  8  0.0139  0.2147  0.4977  1
  Se  Se5  8  0.2285  0.0086  0.4152  1
]