data_WSe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.66
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   93.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSe2Br
_chemical_formula_sum   'W1 Se2 Br1'
_cell_volume   84.34
_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  0.12  0.0  0.28  1.0
  Se  Se1  1  0.08  0.83  0.47  1.0
  Se  Se2  1  0.16  0.83  0.09  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_WSe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.66
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   93.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSe2Br
_chemical_formula_sum   'W1 Se2 Br1'
_cell_volume   84.34
_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  0.12  0.0  0.28  1.0
  Se  Se1  1  0.08  0.83  0.47  1.0
  Se  Se2  1  0.16  0.83  0.09  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

W Se Se Br