data_[Ac8Tl4Au4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3291]
_cell_length_b [14.4818]
_cell_length_c [14.8628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac2TlAuS4]
_chemical_formula_sum '[Ac8 Tl4 Au4 S16]'
_cell_volume [931.7960]
_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  8  0.0000  0.3676  0.5651  1
  Tl  Tl1  4  0.0000  0.1148  0.7500  1
  Au  Au2  4  0.0000  0.1563  0.2500  1
  S  S3  8  0.0000  0.2646  0.1108  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4416  0.7500  1
]