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/m]
_cell_length_a [11.8509]
_cell_length_b [3.9619]
_cell_length_c [6.9502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TeAsAu]
_chemical_formula_sum '[Te4 As4 Au4]'
_cell_volume [317.5936]
_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  0.1074  0.0000  0.8367  1.0
  As  As1  4  0.1522  0.5000  0.5858  1.0
  Au  Au2  4  0.1312  0.0000  0.2771  1.0
]