data_Zn2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   143.49
_cell_angle_beta   125.93
_cell_angle_gamma   67.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2IrAu
_chemical_formula_sum   'Zn2 Ir1 Au1'
_cell_volume   61.57
_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  Zn2  1  0.0  0.3  0.15  1.0
  Zn  Zn3  1  0.59  0.0  0.07  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.22  1.0

data_Zn2IrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.6
_cell_length_c   5.06
_cell_angle_alpha   117.04
_cell_angle_beta   108.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2IrAu
_chemical_formula_sum   'Zn2 Ir1 Au1'
_cell_volume   61.57
_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  0.52  0.93  0.52  1.0
  Zn  Zn1  1  0.85  0.15  0.15  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.78  0.78  0.78  1.0

Zn Zn Ir Au