data_Zn2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   142.03
_cell_angle_beta   123.68
_cell_angle_gamma   69.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnAu
_chemical_formula_sum   'Zn2 Sn1 Au1'
_cell_volume   78.6
_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  0.75  0.0  0.35  1.0
  Zn  Zn3  1  0.0  0.54  0.06  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.41  1.0

data_Zn2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.08
_cell_length_c   5.39
_cell_angle_alpha   118.16
_cell_angle_beta   108.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnAu
_chemical_formula_sum   'Zn2 Sn1 Au1'
_cell_volume   78.6
_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  0.4  0.65  0.4  1.0
  Zn  Zn1  1  0.94  0.48  0.48  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.59  0.59  0.59  1.0

Zn Zn Sn Au
Zn Zn Sn Au 0 3 + o o 0 2 + o o 1 3 o + o 1 2 o o o 1 2 o + o 2 3 o o o 