data_[Y8Ge8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [10.8086]
_cell_length_b [4.3779]
_cell_length_c [10.3583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Ge2Au]
_chemical_formula_sum '[Y8 Ge8 Au4]'
_cell_volume [435.8803]
_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
[
  Y  Y0  4  0.0041  0.0000  0.3221  1.0
  Y  Y1  4  0.1838  0.0000  0.1027  1.0
  Ge  Ge2  4  0.0372  0.5000  0.8927  1.0
  Ge  Ge3  4  0.1367  0.5000  0.5666  1.0
  Au  Au4  4  0.2165  0.5000  0.3436  1.0
]