data_[Si2Ge2P6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7166]
_cell_length_b [3.8501]
_cell_length_c [5.5330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiGeP3Au]
_chemical_formula_sum '[Si2 Ge2 P6 Au2]'
_cell_volume [244.2718]
_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
[
  Si  Si0  2  0.3350  0.0000  0.0883  1
  Ge  Ge1  2  0.1664  0.5000  0.4188  1
  P  P2  2  0.1738  0.0000  0.1683  1
  P  P3  2  0.3302  0.5000  0.8461  1
  P  P4  2  0.4955  0.0000  0.4743  1
  Au  Au5  2  0.4992  0.5000  0.7476  1
]