data_[Y6Si8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8329]
_cell_length_b [4.1964]
_cell_length_c [8.2431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3(Si2Au)2]
_chemical_formula_sum '[Y6 Si8 Au4]'
_cell_volume [366.0046]
_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
[
  Y  Y0  4  0.1625  0.5000  0.6726  1.0
  Y  Y1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0550  0.0000  0.3930  1.0
  Si  Si3  4  0.2234  0.5000  0.0537  1.0
  Au  Au4  4  0.1140  0.5000  0.2806  1.0
]