data_Zn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   115.64
_cell_angle_beta   115.64
_cell_angle_gamma   97.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Se
_chemical_formula_sum   'Zn4 Se2'
_cell_volume   112.37
_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  0.88  0.96  0.0  1.0
  Zn  Zn3  1  0.96  0.88  0.5  1.0
  Zn  Zn4  1  0.71  0.88  0.0  1.0
  Zn  Zn5  1  0.12  0.96  0.5  1.0
  Se  Se0  1  0.0  0.0  0.25  1.0
  Se  Se1  1  0.0  0.0  0.75  1.0

data_Zn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   97.73
_cell_angle_beta   115.64
_cell_angle_gamma   115.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Se
_chemical_formula_sum   'Zn4 Se2'
_cell_volume   112.37
_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  Zn0  1  0.0  0.71  0.88  1.0
  Zn  Zn1  1  0.0  0.88  0.96  1.0
  Zn  Zn2  1  0.5  0.12  0.96  1.0
  Zn  Zn3  1  0.5  0.96  0.88  1.0
  Se  Se4  1  0.25  0.0  0.0  1.0
  Se  Se5  1  0.75  0.0  0.0  1.0

Zn Zn Zn Zn Se Se