data_Zn2SbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   3.87
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbAu
_chemical_formula_sum   'Zn2 Sb1 Au1'
_cell_volume   83.14
_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  0.92  0.93  0.86  1.0
  Zn  Zn3  1  0.5  0.93  0.34  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.21  0.0  0.6  1.0

data_Zn2SbAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.13
_cell_length_c   5.48
_cell_angle_alpha   108.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbAu
_chemical_formula_sum   'Zn2 Sb1 Au1'
_cell_volume   83.14
_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  0.07  0.08  0.14  1.0
  Zn  Zn1  1  0.07  0.5  0.66  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.79  0.4  1.0

Zn Zn Sb Au
Zn Zn Sb Au 0 2 + + + 0 3 + + o 1 2 o + o 1 3 o + o 2 3 o o - 