data_[Tl2Sb4Au4]
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 [P-1]
_cell_length_a [6.4432]
_cell_length_b [7.0268]
_cell_length_c [7.4380]
_cell_angle_alpha [96.5322]
_cell_angle_beta [99.9732]
_cell_angle_gamma [117.2636]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl(SbAu)2]
_chemical_formula_sum '[Tl2 Sb4 Au4]'
_cell_volume [287.5588]
_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  2  0.2099  0.9530  0.3842  1
  Sb  Sb1  2  0.2261  0.4896  0.4178  1
  Sb  Sb2  2  0.2888  0.0820  0.9782  1
  Au  Au3  2  0.2689  0.7318  0.7598  1
  Au  Au4  2  0.3467  0.3331  0.7228  1
]