data_WSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   3.58
_cell_angle_alpha   108.11
_cell_angle_beta   108.11
_cell_angle_gamma   111.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSeBr2
_chemical_formula_sum   'W1 Se1 Br2'
_cell_volume   88.15
_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  0.16  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.59  0.66  0.49  1.0
  Br  Br1  1  0.59  0.34  0.49  1.0

data_WSeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.26
_cell_length_c   5.65
_cell_angle_alpha   117.46
_cell_angle_beta   108.11
_cell_angle_gamma   90.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSeBr2
_chemical_formula_sum   'W1 Se1 Br2'
_cell_volume   88.15
_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  0.16  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.15  0.66  0.24  1.0
  Br  Br3  1  0.83  0.34  0.93  1.0

W Se Br Br