data_Y4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Au3
_chemical_formula_sum   'Y4 Au3'
_cell_volume   170.72
_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  0.0  0.0  0.41  1.0
  Y  Y4  1  0.0  0.0  0.52  1.0
  Y  Y5  1  0.0  0.33  0.0  1.0
  Y  Y6  1  0.88  0.66  0.0  1.0
  Au  Au0  1  0.88  0.0  0.96  1.0
  Au  Au1  1  0.56  0.5  0.96  1.0
  Au  Au2  1  0.44  0.5  0.96  1.0

data_Y4Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Au3
_chemical_formula_sum   'Y4 Au3'
_cell_volume   170.72
_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  0.0  0.41  1.0
  Y  Y1  1  0.0  0.0  0.52  1.0
  Y  Y2  1  0.0  0.33  0.0  1.0
  Y  Y3  1  0.88  0.66  0.0  1.0
  Au  Au4  1  0.44  0.5  0.96  1.0
  Au  Au5  1  0.56  0.5  0.96  1.0
  Au  Au6  1  0.88  0.0  0.96  1.0

Y Y Y Y Au Au Au
Y Y Y Y Au Au Au 0 1 o o o 2 4 - o - 3 5 o o - 3 4 o + - 5 6 o o o 