data_AsSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSeCl2
_chemical_formula_sum   'As1 Se1 Cl2'
_cell_volume   80.79
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.05  0.0  0.0  1.0
  Cl  Cl1  1  0.53  0.17  0.53  1.0
  Cl  Cl2  1  0.53  0.83  0.53  1.0

data_AsSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   109.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsSeCl2
_chemical_formula_sum   'As1 Se1 Cl2'
_cell_volume   80.79
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.05  0.0  1.0
  Cl  Cl2  1  0.53  0.53  0.17  1.0
  Cl  Cl3  1  0.53  0.53  0.83  1.0

As Se Cl Cl
As Se Cl Cl 0 1 o o o 2 3 o - o 