data_W2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18
_cell_length_b   9.18
_cell_length_c   9.18
_cell_angle_alpha   18.54
_cell_angle_beta   18.54
_cell_angle_gamma   18.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W2AuBr
_chemical_formula_sum   'W2 Au1 Br1'
_cell_volume   68.44
_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  W2  1  0.0  0.0  0.26  1.0
  W  W3  1  0.0  0.0  0.81  1.0
  Au  Au0  1  0.0  0.0  0.54  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_W2AuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   100.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   W2AuBr
_chemical_formula_sum   'W4 Au2 Br2'
_cell_volume   136.87
_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
  W  W0  2  -0.0  0.0  0.74  1.0
  W  W1  2  -0.0  0.0  0.19  1.0
  Au  Au2  2  -0.0  0.0  0.46  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

W W Au Br