data_[Sr4Ge8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8807]
_cell_length_b [4.5125]
_cell_length_c [7.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrGe2Au3]
_chemical_formula_sum '[Sr4 Ge8 Au12]'
_cell_volume [529.0339]
_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
[
  Sr  Sr0  4  0.1527  0.0000  0.0798  1.0
  Ge  Ge1  4  0.0128  0.5000  0.1775  1.0
  Ge  Ge2  4  0.1877  0.0000  0.6768  1.0
  Au  Au3  4  0.0394  0.0000  0.3591  1.0
  Au  Au4  4  0.1192  0.5000  0.7292  1.0
  Au  Au5  4  0.1826  0.5000  0.4149  1.0
]