data_YNi6Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNi6Au
_chemical_formula_sum   'Y4 Ni24 Au4'
_cell_volume   429.67
_cell_formula_units_Z   4
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  Y28  1  0.75  0.72  0.0  1.0
  Y  Y29  1  0.75  0.28  0.0  1.0
  Y  Y30  1  0.0  0.0  0.71  1.0
  Y  Y31  1  0.0  0.0  0.97  1.0
  Ni  Ni4  1  0.75  0.63  0.74  1.0
  Ni  Ni5  1  0.54  0.63  0.06  1.0
  Ni  Ni6  1  0.96  0.37  0.06  1.0
  Ni  Ni7  1  0.75  0.37  0.74  1.0
  Ni  Ni8  1  0.96  0.63  0.06  1.0
  Ni  Ni9  1  0.54  0.37  0.06  1.0
  Ni  Ni10  1  0.75  0.0  0.0  1.0
  Ni  Ni11  1  0.94  0.31  0.39  1.0
  Ni  Ni12  1  0.94  0.69  0.39  1.0
  Ni  Ni13  1  0.75  0.63  0.94  1.0
  Ni  Ni14  1  0.57  0.69  0.29  1.0
  Ni  Ni15  1  0.94  0.31  0.29  1.0
  Ni  Ni16  1  0.75  0.37  0.94  1.0
  Ni  Ni17  1  0.94  0.69  0.29  1.0
  Ni  Ni18  1  0.57  0.31  0.29  1.0
  Ni  Ni19  1  0.75  0.0  0.34  1.0
  Ni  Ni20  1  0.96  0.37  0.63  1.0
  Ni  Ni21  1  0.96  0.63  0.63  1.0
  Ni  Ni22  1  0.0  0.0  0.0  1.0
  Ni  Ni23  1  0.57  0.31  0.39  1.0
  Ni  Ni24  1  0.57  0.69  0.39  1.0
  Ni  Ni25  1  0.0  0.0  0.34  1.0
  Ni  Ni26  1  0.54  0.37  0.63  1.0
  Ni  Ni27  1  0.54  0.63  0.63  1.0
  Au  Au0  1  0.75  0.81  0.34  1.0
  Au  Au1  1  0.75  0.19  0.34  1.0
  Au  Au2  1  0.75  0.0  0.72  1.0
  Au  Au3  1  0.75  0.0  0.97  1.0

data_YNi6Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   10.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNi6Au
_chemical_formula_sum   'Y4 Ni24 Au4'
_cell_volume   429.67
_cell_formula_units_Z   4
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  0.71  1.0
  Y  Y1  1  0.0  0.0  0.97  1.0
  Y  Y2  1  0.75  0.28  0.0  1.0
  Y  Y3  1  0.75  0.72  0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.34  1.0
  Ni  Ni6  1  0.54  0.37  0.06  1.0
  Ni  Ni7  1  0.54  0.37  0.63  1.0
  Ni  Ni8  1  0.54  0.63  0.06  1.0
  Ni  Ni9  1  0.54  0.63  0.63  1.0
  Ni  Ni10  1  0.57  0.31  0.29  1.0
  Ni  Ni11  1  0.57  0.31  0.39  1.0
  Ni  Ni12  1  0.57  0.69  0.29  1.0
  Ni  Ni13  1  0.57  0.69  0.39  1.0
  Ni  Ni14  1  0.75  0.0  0.0  1.0
  Ni  Ni15  1  0.75  0.0  0.34  1.0
  Ni  Ni16  1  0.75  0.37  0.74  1.0
  Ni  Ni17  1  0.75  0.37  0.94  1.0
  Ni  Ni18  1  0.75  0.63  0.74  1.0
  Ni  Ni19  1  0.75  0.63  0.94  1.0
  Ni  Ni20  1  0.94  0.31  0.29  1.0
  Ni  Ni21  1  0.94  0.31  0.39  1.0
  Ni  Ni22  1  0.94  0.69  0.29  1.0
  Ni  Ni23  1  0.94  0.69  0.39  1.0
  Ni  Ni24  1  0.96  0.37  0.06  1.0
  Ni  Ni25  1  0.96  0.37  0.63  1.0
  Ni  Ni26  1  0.96  0.63  0.06  1.0
  Ni  Ni27  1  0.96  0.63  0.63  1.0
  Au  Au28  1  0.75  0.0  0.72  1.0
  Au  Au29  1  0.75  0.0  0.97  1.0
  Au  Au30  1  0.75  0.19  0.34  1.0
  Au  Au31  1  0.75  0.81  0.34  1.0

Y Y Y Y Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Au Au Au Au
Y Y Y Y Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Au Au Au Au 0 13 o o - 0 5 o o o 0 8 o o o 1 16 o o - 1 6 o o o 1 9 o o o 2 30 - o o 3 22 o o + 4 27 o o o 4 21 o o o 4 7 o o o 4 13 o o o 5 9 o o o 6 8 o o o 7 26 o o o 7 20 o o o 7 16 o o o 8 13 o o - 9 16 o o - 10 31 o o - 11 15 o o o 11 29 o o o 12 17 o o o 14 24 o o o 14 28 o o o 15 29 o o o 18 23 o o o 19 29 o o o 19 28 o - o 19 25 + o o 20 21 o o o 24 28 o o o 25 28 - - o 26 27 o o o 