data_[Te4As4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.9909]
_cell_length_b [6.4366]
_cell_length_c [4.0702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TeAsAu]
_chemical_formula_sum '[Te4 As4 Au4]'
_cell_volume [330.4573]
_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
[
  Te  Te0  4  0.1233  0.6203  0.8916  1.0
  As  As1  4  0.1041  0.0293  0.9292  1.0
  Au  Au2  4  0.2307  0.0787  0.5080  1.0
]