data_[Ac24Te12Se9S3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.1123]
_cell_length_b [9.1123]
_cell_length_c [22.7400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac8Te4Se3S]
_chemical_formula_sum '[Ac24 Te12 Se9 S3]'
_cell_volume [1635.2356]
_cell_formula_units_Z [3]
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  18  0.0094  0.5047  0.7399  1
  Ac  Ac1  6  0.0000  0.0000  0.2584  1
  Te  Te2  9  0.0000  0.5000  0.5000  1
  Te  Te3  3  -0.0000  -0.0000  0.5000  1
  Se  Se4  9  0.0000  0.5000  0.0000  1
  S  S5  3  -0.0000  -0.0000  0.0000  1
]