data_[Si4Te4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  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 [10.8126]
_cell_length_b [7.2319]
_cell_length_c [6.4624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiTeAu4]
_chemical_formula_sum '[Si4 Te4 Au16]'
_cell_volume [498.6036]
_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
[
  Si  Si0  4  0.0392  0.5000  0.8175  1
  Te  Te1  4  0.1737  0.0000  0.7064  1
  Au  Au2  8  0.1164  0.2969  0.4202  1
  Au  Au3  4  0.0000  0.1950  0.0000  1
  Au  Au4  4  0.2368  0.0000  0.1634  1
]