data_CoWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37
_cell_length_b   9.37
_cell_length_c   9.37
_cell_angle_alpha   17.3
_cell_angle_beta   17.3
_cell_angle_gamma   17.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoWAu2
_chemical_formula_sum   'Co1 W1 Au2'
_cell_volume   63.42
_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
  Co  Co2  1  0.0  0.0  0.96  1.0
  W  W3  1  0.0  0.0  0.69  1.0
  Au  Au0  1  0.0  0.0  0.6  1.0
  Au  Au1  1  0.0  0.0  0.94  1.0

data_CoWAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   100.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoWAu2
_chemical_formula_sum   'Co2 W2 Au4'
_cell_volume   126.85
_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
  Co  Co0  2  0.0  0.0  0.04  1.0
  W  W1  2  0.0  0.0  0.31  1.0
  Au  Au2  2  0.0  0.0  0.06  1.0
  Au  Au3  2  0.0  0.0  0.4  1.0

Co W Au Au
Co W Au Au 0 3 o o o 1 2 o o o 