data_CdSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.88
_cell_length_c   3.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSe5
_chemical_formula_sum   'Cd1 Se5'
_cell_volume   156.6
_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
  Cd  Cd0  1  0.72  0.0  0.94  1.0
  Se  Se1  1  0.72  0.7  0.0  1.0
  Se  Se2  1  0.72  0.4  0.94  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0
  Se  Se4  1  0.72  0.6  0.94  1.0
  Se  Se5  1  0.72  0.3  0.0  1.0

data_CdSe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.45
_cell_length_c   7.88
_cell_angle_alpha   110.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSe5
_chemical_formula_sum   'Cd1 Se5'
_cell_volume   156.6
_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
  Cd  Cd0  1  0.94  0.0  0.72  1.0
  Se  Se1  1  -0.0  0.3  0.02  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.7  0.43  1.0
  Se  Se4  1  0.94  0.4  0.13  1.0
  Se  Se5  1  0.94  0.6  0.32  1.0

Cd Se Se Se Se Se
Cd Se Se Se Se Se 0 5 o o + 0 1 o - + 0 3 + o + 1 4 o o - 1 3 + + o 2 5 o o + 