data_ZnSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSe3
_chemical_formula_sum   'Zn2 Se6'
_cell_volume   240.09
_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  Zn6  1  0.36  0.82  0.91  1.0
  Zn  Zn7  1  0.36  0.18  0.97  1.0
  Se  Se0  1  0.36  0.53  0.91  1.0
  Se  Se1  1  0.36  0.47  0.97  1.0
  Se  Se2  1  0.04  0.79  0.91  1.0
  Se  Se3  1  0.68  0.21  0.97  1.0
  Se  Se4  1  0.04  0.21  0.97  1.0
  Se  Se5  1  0.68  0.79  0.91  1.0

data_ZnSe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.89
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   116.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnSe3
_chemical_formula_sum   'Zn2 Se6'
_cell_volume   240.09
_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  0.47  0.0  0.82  1.0
  Se  Se1  2  0.47  0.32  0.79  1.0
  Se  Se2  2  0.47  0.0  0.53  1.0
  Se  Se3  2  0.47  0.68  0.79  1.0

Zn Zn Se Se Se Se Se Se