data_[Ac24Pt12Se3S9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pt  2.2800  1.3500  0.8050
  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 [8.6395]
_cell_length_b [8.6395]
_cell_length_c [22.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac8Pt4SeS3]
_chemical_formula_sum '[Ac24 Pt12 Se3 S9]'
_cell_volume [1482.4709]
_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  0.0033  0.5016  0.2443  1
  Ac  Ac1  6  0.0000  0.0000  0.2454  1
  Pt  Pt2  9  0.0000  0.5000  0.5000  1
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1
  Se  Se4  3  -0.0000  -0.0000  0.0000  1
  S  S5  9  0.0000  0.5000  0.0000  1
]