data_PtWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   130.5
_cell_angle_beta   130.5
_cell_angle_gamma   72.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtWAu2
_chemical_formula_sum   'Pt1 W1 Au2'
_cell_volume   66.42
_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
  Pt  Pt2  1  0.0  0.0  0.95  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.05  0.0  0.97  1.0
  Au  Au1  1  0.0  0.05  0.97  1.0

data_PtWAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   126.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PtWAu2
_chemical_formula_sum   'Pt2 W2 Au4'
_cell_volume   132.84
_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
  Pt  Pt0  2  0.05  0.0  0.05  1.0
  W  W1  2  0.0  0.0  0.0  1.0
  Au  Au2  4  0.05  0.03  0.08  1.0

Pt W Au Au