data_AlZn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2Au
_chemical_formula_sum   'Al1 Zn2 Au1'
_cell_volume   64.84
_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
  Al  Al0  1  0.0  0.0  0.87  1.0
  Zn  Zn2  1  0.0  0.0  0.66  1.0
  Zn  Zn3  1  0.03  0.0  0.8  1.0
  Au  Au1  1  0.03  0.0  0.97  1.0

data_AlZn2Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   AlZn2Au
_chemical_formula_sum   'Al1 Zn2 Au1'
_cell_volume   64.85
_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
  Al  Al0  1  0.0  0.0  0.87  1.0
  Zn  Zn1  1  0.0  0.0  0.66  1.0
  Zn  Zn2  1  0.03  0.0  0.8  1.0
  Au  Au3  1  0.03  0.0  0.97  1.0

Al Zn Zn Au
Al Zn Zn Au 0 2 o o o 0 3 o o o 1 2 o o o 