data_ZnCdSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   150.31
_cell_angle_beta   149.3
_cell_angle_gamma   43.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdSe2
_chemical_formula_sum   'Zn1 Cd1 Se2'
_cell_volume   87.68
_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
  Zn  Zn3  1  0.0  0.0  0.95  1.0
  Cd  Cd0  1  0.0  0.86  0.66  1.0
  Se  Se1  1  0.0  0.0  0.49  1.0
  Se  Se2  1  0.8  0.0  0.97  1.0

data_ZnCdSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.72
_cell_length_c   7.03
_cell_angle_alpha   105.35
_cell_angle_beta   104.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdSe2
_chemical_formula_sum   'Zn1 Cd1 Se2'
_cell_volume   87.68
_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
  Zn  Zn0  1  0.05  0.05  0.05  1.0
  Cd  Cd1  1  0.34  0.2  0.2  1.0
  Se  Se2  1  0.51  0.51  0.51  1.0
  Se  Se3  1  0.83  0.03  0.83  1.0

Zn Cd Se Se
Zn Cd Se Se 0 3 - o o 0 1 o - o 1 2 o + o 