data_[Tl16Sb2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3530]
_cell_length_b [13.6225]
_cell_length_c [5.5180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl8SbAu2]
_chemical_formula_sum '[Tl16 Sb2 Au4]'
_cell_volume [664.7691]
_cell_formula_units_Z [2]
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  8  0.1995  0.1242  0.0893  1.0
  Tl  Tl1  4  0.0000  0.2362  0.5000  1.0
  Tl  Tl2  4  0.1225  0.5000  0.3245  1.0
  Sb  Sb3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3164  0.0000  1.0
]