data_[Si8Te24Pb4Au4]
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
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4491]
_cell_length_b [13.6338]
_cell_length_c [7.2342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2Te6PbAu]
_chemical_formula_sum '[Si8 Te24 Pb4 Au4]'
_cell_volume [1358.7235]
_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  8  0.2032  0.4350  0.2243  1
  Te  Te1  8  0.1139  0.0717  0.6985  1
  Te  Te2  8  0.1319  0.4184  0.5067  1
  Te  Te3  8  0.1441  0.2669  0.0676  1
  Pb  Pb4  4  0.0000  0.1253  0.2500  1
  Au  Au5  4  0.0000  0.2969  0.7500  1
]