data_[Tl4Zn4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2321]
_cell_length_b [6.8236]
_cell_length_c [5.8872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlZnAu4]
_chemical_formula_sum '[Tl4 Zn4 Au16]'
_cell_volume [484.0066]
_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
[
  Tl  Tl0  4  0.2094  0.0000  0.3089  1.0
  Zn  Zn1  4  0.0300  0.5000  0.3149  1.0
  Au  Au2  8  0.1156  0.2093  0.6664  1.0
  Au  Au3  4  0.0000  0.2075  0.0000  1.0
  Au  Au4  4  0.1815  0.5000  0.0991  1.0
]