data_Ni6MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6MoAu
_chemical_formula_sum   'Ni24 Mo4 Au4'
_cell_volume   392.28
_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
  Ni  Ni8  1  0.66  0.37  0.86  1.0
  Ni  Ni9  1  0.79  0.69  0.13  1.0
  Ni  Ni10  1  0.52  0.31  0.13  1.0
  Ni  Ni11  1  0.66  0.63  0.86  1.0
  Ni  Ni12  1  0.52  0.69  0.13  1.0
  Ni  Ni13  1  0.79  0.31  0.13  1.0
  Ni  Ni14  1  0.0  0.0  0.19  1.0
  Ni  Ni15  1  0.54  0.27  0.54  1.0
  Ni  Ni16  1  0.54  0.73  0.54  1.0
  Ni  Ni17  1  0.66  0.37  0.51  1.0
  Ni  Ni18  1  0.77  0.73  0.84  1.0
  Ni  Ni19  1  0.54  0.27  0.84  1.0
  Ni  Ni20  1  0.66  0.63  0.51  1.0
  Ni  Ni21  1  0.54  0.73  0.84  1.0
  Ni  Ni22  1  0.77  0.27  0.84  1.0
  Ni  Ni23  1  0.0  0.0  0.0  1.0
  Ni  Ni24  1  0.52  0.31  0.25  1.0
  Ni  Ni25  1  0.52  0.69  0.25  1.0
  Ni  Ni26  1  0.66  0.0  0.19  1.0
  Ni  Ni27  1  0.77  0.27  0.54  1.0
  Ni  Ni28  1  0.77  0.73  0.54  1.0
  Ni  Ni29  1  0.66  0.0  0.0  1.0
  Ni  Ni30  1  0.79  0.31  0.25  1.0
  Ni  Ni31  1  0.79  0.69  0.25  1.0
  Mo  Mo4  1  0.66  0.38  0.0  1.0
  Mo  Mo5  1  0.66  0.62  0.0  1.0
  Mo  Mo6  1  0.0  0.0  0.73  1.0
  Mo  Mo7  1  0.0  0.0  0.65  1.0
  Au  Au0  1  0.66  0.46  0.19  1.0
  Au  Au1  1  0.66  0.54  0.19  1.0
  Au  Au2  1  0.66  0.0  0.79  1.0
  Au  Au3  1  0.66  0.0  0.59  1.0

data_Ni6MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6MoAu
_chemical_formula_sum   'Ni24 Mo4 Au4'
_cell_volume   392.28
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.19  1.0
  Ni  Ni2  1  0.52  0.31  0.13  1.0
  Ni  Ni3  1  0.52  0.31  0.25  1.0
  Ni  Ni4  1  0.52  0.69  0.13  1.0
  Ni  Ni5  1  0.52  0.69  0.25  1.0
  Ni  Ni6  1  0.54  0.27  0.54  1.0
  Ni  Ni7  1  0.54  0.27  0.84  1.0
  Ni  Ni8  1  0.54  0.73  0.54  1.0
  Ni  Ni9  1  0.54  0.73  0.84  1.0
  Ni  Ni10  1  0.66  0.0  0.0  1.0
  Ni  Ni11  1  0.66  0.0  0.19  1.0
  Ni  Ni12  1  0.66  0.37  0.51  1.0
  Ni  Ni13  1  0.66  0.37  0.86  1.0
  Ni  Ni14  1  0.66  0.63  0.51  1.0
  Ni  Ni15  1  0.66  0.63  0.86  1.0
  Ni  Ni16  1  0.77  0.27  0.54  1.0
  Ni  Ni17  1  0.77  0.27  0.84  1.0
  Ni  Ni18  1  0.77  0.73  0.54  1.0
  Ni  Ni19  1  0.77  0.73  0.84  1.0
  Ni  Ni20  1  0.79  0.31  0.13  1.0
  Ni  Ni21  1  0.79  0.31  0.25  1.0
  Ni  Ni22  1  0.79  0.69  0.13  1.0
  Ni  Ni23  1  0.79  0.69  0.25  1.0
  Mo  Mo24  1  0.0  0.0  0.65  1.0
  Mo  Mo25  1  0.0  0.0  0.73  1.0
  Mo  Mo26  1  0.66  0.38  0.0  1.0
  Mo  Mo27  1  0.66  0.62  0.0  1.0
  Au  Au28  1  0.66  0.0  0.59  1.0
  Au  Au29  1  0.66  0.0  0.79  1.0
  Au  Au30  1  0.66  0.46  0.19  1.0
  Au  Au31  1  0.66  0.54  0.19  1.0

Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Mo Mo Mo Mo Au Au Au Au