data_[Tl12Te2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [12.8783]
_cell_length_b [4.4633]
_cell_length_c [9.5981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl6TeAu2]
_chemical_formula_sum '[Tl12 Te2 Au4]'
_cell_volume [540.6512]
_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  4  0.0580  0.0000  0.8493  1
  Tl  Tl1  4  0.1393  0.5000  0.1898  1
  Tl  Tl2  4  0.1796  0.5000  0.5820  1
  Te  Te3  2  0.0000  0.0000  0.5000  1
  Au  Au4  4  0.2176  0.5000  0.8986  1
]