data_[Tl2Ni2Te6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2264]
_cell_length_b [3.8966]
_cell_length_c [10.3370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlNiTe3Au]
_chemical_formula_sum '[Tl2 Ni2 Te6 Au2]'
_cell_volume [321.0985]
_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  0.2717  0.2500  0.8270  1
  Ni  Ni1  2  0.3305  0.7500  0.3676  1
  Te  Te2  2  0.1225  0.2500  0.3762  1
  Te  Te3  2  0.2914  0.7500  0.1047  1
  Te  Te4  2  0.4585  0.7500  0.6235  1
  Au  Au5  2  0.0041  0.7500  0.8933  1
]