data_Se2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   8.96
_cell_angle_alpha   102.16
_cell_angle_beta   102.16
_cell_angle_gamma   47.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Se2BrCl
_chemical_formula_sum   'Se2 Br1 Cl1'
_cell_volume   133.83
_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
  Se  Se2  1  0.12  0.0  0.46  1.0
  Se  Se3  1  0.37  0.0  0.94  1.0
  Br  Br0  1  0.75  0.0  0.0  1.0
  Cl  Cl1  1  0.16  0.0  0.39  1.0

data_Se2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.57
_cell_length_c   8.96
_cell_angle_alpha   102.16
_cell_angle_beta   90.0
_cell_angle_gamma   113.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Se2BrCl
_chemical_formula_sum   'Se2 Br1 Cl1'
_cell_volume   133.83
_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
  Se  Se0  1  0.0  0.63  0.06  1.0
  Se  Se1  1  0.0  0.88  0.54  1.0
  Br  Br2  1  0.0  0.25  1.0  1.0
  Cl  Cl3  1  0.0  0.84  0.61  1.0

Se Se Br Cl