data_[Ac8Ag4Te4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3033]
_cell_length_b [18.2437]
_cell_length_c [12.2593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ac2AgTeS5]
_chemical_formula_sum '[Ac8 Ag4 Te4 S20]'
_cell_volume [962.4434]
_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  0.0000  0.1038  0.6811  1
  Ac  Ac1  4  0.0000  0.1370  0.2995  1
  Ag  Ag2  4  0.0000  0.2547  0.0660  1
  Te  Te3  4  0.0000  0.4297  0.4795  1
  S  S4  4  0.0000  0.1173  0.0491  1
  S  S5  4  0.0000  0.2687  0.6970  1
  S  S6  4  0.0000  0.3381  0.3354  1
  S  S7  4  0.0000  0.3776  0.9889  1
  S  S8  4  0.0000  0.4819  0.7275  1
]