data_Zn2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2InAu
_chemical_formula_sum   'Zn2 In1 Au1'
_cell_volume   75.98
_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  0.16  0.0  0.26  1.0
  Zn  Zn3  1  0.16  0.0  0.66  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.96  1.0

data_Zn2InAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zn2InAu
_chemical_formula_sum   'Zn2 In1 Au1'
_cell_volume   76.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.16  0.0  0.26  1.0
  Zn  Zn1  1  0.16  0.0  0.66  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.96  1.0

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