data_CdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   7.89
_cell_angle_alpha   105.68
_cell_angle_beta   105.68
_cell_angle_gamma   43.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSe2
_chemical_formula_sum   'Cd2 Se4'
_cell_volume   166.88
_cell_formula_units_Z   2
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  0.1  0.0  0.89  1.0
  Cd  Cd1  1  0.16  0.0  0.67  1.0
  Se  Se2  1  0.21  0.0  0.59  1.0
  Se  Se3  1  0.47  0.0  0.19  1.0
  Se  Se4  1  0.79  0.0  0.37  1.0
  Se  Se5  1  0.05  0.0  0.96  1.0

data_CdSe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.19
_cell_length_b   5.68
_cell_length_c   7.89
_cell_angle_alpha   105.68
_cell_angle_beta   90.0
_cell_angle_gamma   111.64
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdSe2
_chemical_formula_sum   'Cd2 Se4'
_cell_volume   166.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.47  0.11  1.0
  Se  Se1  2  0.0  0.16  0.59  1.0
  Se  Se2  2  0.0  0.42  0.18  1.0

Cd Cd Se Se Se Se