data_ZrZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnAu2
_chemical_formula_sum   'Zr1 Zn1 Au2'
_cell_volume   73.37
_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
  Zr  Zr3  1  0.2  0.0  0.93  1.0
  Zn  Zn2  1  0.0  0.0  0.87  1.0
  Au  Au0  1  0.0  0.0  0.46  1.0
  Au  Au1  1  0.2  0.0  0.44  1.0

data_ZrZnAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrZnAu2
_chemical_formula_sum   'Zr1 Zn1 Au2'
_cell_volume   73.38
_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
  Zr  Zr0  1  0.2  0.0  0.93  1.0
  Zn  Zn1  1  0.0  0.0  0.87  1.0
  Au  Au2  1  0.0  0.0  0.46  1.0
  Au  Au3  1  0.2  0.0  0.44  1.0

Zr Zn Au Au
Zr Zn Au Au 0 1 o o o 2 3 o o o 