data_ZrGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.3
_cell_angle_alpha   99.23
_cell_angle_beta   99.23
_cell_angle_gamma   36.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaAu2
_chemical_formula_sum   'Zr1 Ga1 Au2'
_cell_volume   75.99
_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  0.26  0.0  0.61  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.85  0.0  0.3  1.0
  Au  Au1  1  0.67  0.0  0.93  1.0

data_ZrGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.96
_cell_length_c   5.3
_cell_angle_alpha   99.23
_cell_angle_beta   90.0
_cell_angle_gamma   108.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaAu2
_chemical_formula_sum   'Zr1 Ga1 Au2'
_cell_volume   75.99
_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  Zr0  1  0.0  0.74  0.39  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.15  0.7  1.0
  Au  Au3  1  0.0  0.33  0.07  1.0

Zr Ga Au Au