data_CdSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.76
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   110.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSeCl2
_chemical_formula_sum   'Cd1 Se1 Cl2'
_cell_volume   110.92
_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
  Cd  Cd0  1  0.64  0.38  0.78  1.0
  Se  Se3  1  0.6  0.0  0.48  1.0
  Cl  Cl1  1  0.0  0.0  0.68  1.0
  Cl  Cl2  1  0.25  0.38  0.75  1.0

data_CdSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.76
_cell_length_b   4.81
_cell_length_c   5.16
_cell_angle_alpha   110.04
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSeCl2
_chemical_formula_sum   'Cd1 Se1 Cl2'
_cell_volume   110.92
_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
  Cd  Cd0  1  0.62  0.36  0.22  1.0
  Se  Se1  1  0.0  0.4  0.52  1.0
  Cl  Cl2  1  0.0  1.0  0.32  1.0
  Cl  Cl3  1  0.62  0.75  0.25  1.0

Cd Se Cl Cl