data_Y5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Au
_chemical_formula_sum   'Y5 Au1'
_cell_volume   197.54
_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  Y1  1  0.56  0.71  0.91  1.0
  Y  Y2  1  0.13  0.81  0.0  1.0
  Y  Y3  1  0.44  0.71  0.91  1.0
  Y  Y4  1  0.13  0.0  0.91  1.0
  Y  Y5  1  0.0  0.61  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Y5Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Au
_chemical_formula_sum   'Y5 Au1'
_cell_volume   197.54
_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  0.13  0.81  1.0
  Y  Y1  1  -0.0  0.0  0.61  1.0
  Y  Y2  1  0.91  0.13  0.0  1.0
  Y  Y3  1  0.91  0.44  0.71  1.0
  Y  Y4  1  0.91  0.56  0.71  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0

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