data_WAuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WAuCl2
_chemical_formula_sum   'W1 Au1 Cl2'
_cell_volume   78.88
_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
  W  W3  1  0.0  0.0  0.81  1.0
  Au  Au0  1  0.51  0.0  0.54  1.0
  Cl  Cl1  1  0.0  0.0  0.4  1.0
  Cl  Cl2  1  0.51  0.0  0.74  1.0

data_WAuCl2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.1
_cell_length_b   5.27
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   WAuCl2
_chemical_formula_sum   'W2 Au2 Cl4'
_cell_volume   157.85
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  W  W0  2  0.0  0.0  0.19  1.0
  Au  Au1  2  0.0  0.5  0.46  1.0
  Cl  Cl2  2  0.0  0.0  0.6  1.0
  Cl  Cl3  2  0.0  0.5  0.26  1.0

W Au Cl Cl