data_NiW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   130.64
_cell_angle_beta   130.64
_cell_angle_gamma   72.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiW2Au
_chemical_formula_sum   'Ni1 W2 Au1'
_cell_volume   61.0
_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  0.99  0.0  0.92  1.0
  W  W3  1  0.0  0.0  0.85  1.0
  Au  Au0  1  0.0  0.99  0.92  1.0

data_NiW2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   126.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiW2Au
_chemical_formula_sum   'Ni2 W4 Au2'
_cell_volume   121.99
_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  2  0.07  0.0  0.07  1.0
  W  W2  2  0.15  0.0  0.15  1.0
  Au  Au3  2  0.07  0.0  0.07  1.0

Ni W W Au