data_ZnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   3.71
_cell_angle_alpha   93.75
_cell_angle_beta   93.75
_cell_angle_gamma   32.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSe
_chemical_formula_sum   'Zn2 Se2'
_cell_volume   83.84
_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
  Zn  Zn2  1  0.03  0.0  0.91  1.0
  Zn  Zn3  1  0.12  0.0  0.8  1.0
  Se  Se0  1  0.6  0.0  0.71  1.0
  Se  Se1  1  0.55  0.0  1.0  1.0

data_ZnSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.65
_cell_length_b   3.71
_cell_length_c   6.46
_cell_angle_alpha   93.75
_cell_angle_beta   106.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnSe
_chemical_formula_sum   'Zn2 Se2'
_cell_volume   83.84
_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
  Zn  Zn0  2  0.0  0.45  0.05  1.0
  Se  Se1  2  0.0  0.36  0.53  1.0

Zn Zn Se Se