data_YGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.94
_cell_angle_alpha   111.7
_cell_angle_beta   111.7
_cell_angle_gamma   48.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaAu2
_chemical_formula_sum   'Y1 Ga1 Au2'
_cell_volume   82.76
_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
  Y  Y3  1  0.36  0.0  0.14  1.0
  Ga  Ga2  1  0.55  0.0  0.59  1.0
  Au  Au0  1  0.04  0.0  0.39  1.0
  Au  Au1  1  0.68  0.0  0.18  1.0

data_YGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.94
_cell_length_c   4.96
_cell_angle_alpha   111.7
_cell_angle_beta   114.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaAu2
_chemical_formula_sum   'Y1 Ga1 Au2'
_cell_volume   82.76
_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
  Y  Y0  1  0.0  0.14  0.36  1.0
  Ga  Ga1  1  0.0  0.59  0.55  1.0
  Au  Au2  1  0.0  0.18  0.68  1.0
  Au  Au3  1  0.0  0.39  0.04  1.0

Y Ga Au Au