data_[Y4Zn4Au4]
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 [Imm2]
_cell_length_a [4.4538]
_cell_length_b [7.1836]
_cell_length_c [7.9401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YZnAu]
_chemical_formula_sum '[Y4 Zn4 Au4]'
_cell_volume [254.0366]
_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  2  0.0000  0.0000  0.5308  1.0
  Y  Y1  2  0.0000  0.5000  0.5847  1.0
  Zn  Zn2  4  0.0000  0.2892  0.2233  1.0
  Au  Au3  4  0.0000  0.2281  0.8946  1.0
]