data_[Zn2Ni2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.8088]
_cell_length_b [3.9075]
_cell_length_c [6.0598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnNiAu]
_chemical_formula_sum '[Zn2 Ni2 Au2]'
_cell_volume [86.7857]
_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
[
  Zn  Zn0  2  0.3775  0.2500  0.7866  1
  Ni  Ni1  2  0.2474  0.7500  0.4967  1
  Au  Au2  2  0.1127  0.2500  0.1793  1
]