data_[Zn1In2Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0099]
_cell_length_b [4.4115]
_cell_length_c [5.3173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZnIn2Au]
_chemical_formula_sum '[Zn1 In2 Au1]'
_cell_volume [88.4111]
_cell_formula_units_Z [1]
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
[
  Zn  Zn0  1  0.8320  0.0000  0.5295  1.0
  In  In1  1  0.1048  0.0000  0.0770  1.0
  In  In2  1  0.3908  0.5000  0.6658  1.0
  Au  Au3  1  0.6724  0.5000  0.2278  1.0
]