data_WBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr2Cl
_chemical_formula_sum   'W1 Br2 Cl1'
_cell_volume   97.08
_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  0.98  1.0
  Br  Br0  1  0.54  0.0  1.0  1.0
  Br  Br1  1  0.54  0.0  0.96  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_WBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.52
_cell_length_c   9.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WBr2Cl
_chemical_formula_sum   'W1 Br2 Cl1'
_cell_volume   97.08
_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  W0  1  0.0  0.0  0.98  1.0
  Br  Br1  1  0.0  0.54  0.96  1.0
  Br  Br2  1  0.0  0.54  1.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

W Br Br Cl