data_YSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   4.39
_cell_angle_alpha   103.39
_cell_angle_beta   103.39
_cell_angle_gamma   43.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSbAu2
_chemical_formula_sum   'Y1 Sb1 Au2'
_cell_volume   92.48
_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  0.4  0.0  0.06  1.0
  Sb  Sb2  1  0.51  0.0  1.0  1.0
  Au  Au0  1  0.01  0.0  0.12  1.0
  Au  Au1  1  0.07  0.0  0.46  1.0

data_YSbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.39
_cell_length_c   5.63
_cell_angle_alpha   103.39
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSbAu2
_chemical_formula_sum   'Y1 Sb1 Au2'
_cell_volume   92.48
_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  0.06  0.4  1.0
  Sb  Sb1  1  0.0  1.0  0.51  1.0
  Au  Au2  1  0.0  0.12  0.01  1.0
  Au  Au3  1  0.0  0.46  0.07  1.0

Y Sb Au Au
Y Sb Au Au 0 1 o o - 2 3 o o o 