data_[Ti4Tl4Te12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9376]
_cell_length_b [15.6456]
_cell_length_c [10.8095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TiTlTe3Au]
_chemical_formula_sum '[Ti4 Tl4 Te12 Au4]'
_cell_volume [665.9348]
_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
[
  Ti  Ti0  4  0.0000  0.5000  0.0000  1
  Tl  Tl1  4  0.0000  0.2705  0.7500  1
  Te  Te2  8  0.0000  0.1282  0.0286  1
  Te  Te3  4  0.0000  0.4237  0.2500  1
  Au  Au4  4  0.0000  0.0478  0.2500  1
]