data_ZnW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.34
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnW2Au
_chemical_formula_sum   'Zn1 W2 Au1'
_cell_volume   64.79
_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
  Zn  Zn3  1  0.54  0.0  0.65  1.0
  W  W1  1  0.7  0.0  0.07  1.0
  W  W2  1  0.87  0.17  0.38  1.0
  Au  Au0  1  0.53  0.17  0.01  1.0

data_ZnW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.34
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnW2Au
_chemical_formula_sum   'Zn1 W2 Au1'
_cell_volume   64.79
_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
  Zn  Zn0  1  0.54  0.0  0.65  1.0
  W  W1  1  0.7  0.0  0.07  1.0
  W  W2  1  0.87  0.17  0.38  1.0
  Au  Au3  1  0.53  0.17  0.01  1.0

Zn W W Au
Zn W W Au 0 2 - o o 0 2 o o o 0 3 o o + 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 