data_Ni2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   4.37
_cell_angle_alpha   124.42
_cell_angle_beta   124.42
_cell_angle_gamma   82.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2WAu
_chemical_formula_sum   'Ni2 W1 Au1'
_cell_volume   54.45
_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
  Ni  Ni1  1  0.0  0.04  0.64  1.0
  Ni  Ni2  1  0.04  0.0  0.64  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.28  1.0

data_Ni2WAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   131.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2WAu
_chemical_formula_sum   'Ni4 W2 Au2'
_cell_volume   108.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.38  0.02  0.39  1.0
  W  W1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.22  0.5  0.72  1.0

Ni Ni W Au