data_NiW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   135.22
_cell_angle_beta   135.22
_cell_angle_gamma   65.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2Au
_chemical_formula_sum   'Ni1 W2 Au1'
_cell_volume   60.68
_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  0.0  0.0  1.0
  W  W2  1  0.9  0.0  0.1  1.0
  W  W3  1  0.0  0.9  0.1  1.0
  Au  Au0  1  0.0  0.0  0.2  1.0

data_NiW2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   122.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiW2Au
_chemical_formula_sum   'Ni2 W4 Au2'
_cell_volume   121.36
_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  2  0.0  0.0  0.0  1.0
  W  W1  4  0.05  0.05  0.2  1.0
  Au  Au2  2  0.0  0.0  0.2  1.0

Ni W W Au