data_[Y4Zn12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0223]
_cell_length_b [4.2302]
_cell_length_c [8.6177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YZn3Au2]
_chemical_formula_sum '[Y4 Zn12 Au8]'
_cell_volume [451.9872]
_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  0.1381  0.0000  0.0161  1.0
  Zn  Zn1  4  0.0532  0.0000  0.3916  1.0
  Zn  Zn2  4  0.0939  0.5000  0.6958  1.0
  Zn  Zn3  4  0.2069  0.5000  0.5235  1.0
  Au  Au4  4  0.0484  0.5000  0.1864  1.0
  Au  Au5  4  0.2191  0.0000  0.7374  1.0
]