data_K2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Se3
_chemical_formula_sum   'K4 Se6'
_cell_volume   320.09
_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
  K  K0  1  0.85  0.68  0.0  1.0
  K  K1  1  0.85  0.32  0.87  1.0
  K  K2  1  0.85  0.93  0.57  1.0
  K  K3  1  0.85  0.07  0.7  1.0
  Se  Se4  1  0.85  0.14  0.42  1.0
  Se  Se5  1  0.85  0.86  0.28  1.0
  Se  Se6  1  0.91  0.28  0.0  1.0
  Se  Se7  1  0.79  0.72  0.87  1.0
  Se  Se8  1  0.91  0.72  0.87  1.0
  Se  Se9  1  0.79  0.28  0.0  1.0

data_K2Se3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   7.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Se3
_chemical_formula_sum   'K4 Se6'
_cell_volume   320.09
_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
  K  K0  1  0.85  0.07  0.7  1.0
  K  K1  1  0.85  0.32  0.87  1.0
  K  K2  1  0.85  0.68  0.0  1.0
  K  K3  1  0.85  0.93  0.57  1.0
  Se  Se4  1  0.79  0.28  0.0  1.0
  Se  Se5  1  0.79  0.72  0.87  1.0
  Se  Se6  1  0.85  0.14  0.42  1.0
  Se  Se7  1  0.85  0.86  0.28  1.0
  Se  Se8  1  0.91  0.28  0.0  1.0
  Se  Se9  1  0.91  0.72  0.87  1.0

K K K K Se Se Se Se Se Se
K K K K Se Se Se Se Se Se 0 7 o o - 0 8 o o - 0 5 o o o 1 9 o o + 1 6 o o + 2 3 o + o 2 4 o + o 2 5 o o o 3 4 o o o 4 5 o - o 6 9 o o o 7 8 o o o 