data_[Ba2Ge2Te4Au4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6674]
_cell_length_b [8.5448]
_cell_length_c [6.8222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.6702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaGeTe2(AuS)2]
_chemical_formula_sum '[Ba2 Ge2 Te4 Au4 S4]'
_cell_volume [492.2194]
_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
[
  Ba  Ba0  2  0.0000  0.0116  0.0000  1
  Ge  Ge1  2  0.0000  0.4803  0.0000  1
  Te  Te2  4  0.1898  0.6675  0.3786  1
  Au  Au3  2  0.0000  0.3312  0.5000  1
  Au  Au4  2  0.0000  0.6846  0.5000  1
  S  S5  4  0.1486  0.3287  0.9380  1
]