data_K2Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.59
_cell_length_c   29.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Se5
_chemical_formula_sum   'K4 Se10'
_cell_volume   1292.43
_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  0.08  0.84  0.22  1.0
  K  K1  1  0.36  0.43  0.33  1.0
  K  K2  1  0.86  0.07  0.33  1.0
  K  K3  1  0.58  0.66  0.45  1.0
  Se  Se4  1  0.53  0.27  0.21  1.0
  Se  Se5  1  0.1  0.35  0.23  1.0
  Se  Se6  1  0.57  0.92  0.23  1.0
  Se  Se7  1  0.76  0.45  0.26  1.0
  Se  Se8  1  0.39  0.92  0.3  1.0
  Se  Se9  1  0.89  0.58  0.36  1.0
  Se  Se10  1  0.26  0.05  0.41  1.0
  Se  Se11  1  0.07  0.58  0.43  1.0
  Se  Se12  1  0.6  0.15  0.43  1.0
  Se  Se13  1  0.03  0.23  0.46  1.0

K K K K Se Se Se Se Se Se Se Se Se Se 0 7 - o o 0 6 - o o 0 6 o o o 0 5 o o o 0 5 o + o 0 8 o o o 0 2 - + o 1 5 o o o 1 10 o o o 1 2 - o o 1 2 o o o 1 11 o o o 1 9 - o o 1 9 o o o 1 4 o o o 1 8 o - o 1 8 o o o 1 12 o o o 1 7 o o o 1 3 o o o 2 8 o - o 2 8 + - o 2 6 o - o 2 7 o o o 2 12 o o o 2 10 + o o 2 9 o - o 2 9 o o o 2 5 + o o 2 13 + o o 3 11 o o o 3 11 + o o 3 10 o + o 3 12 o o o 3 12 o + o 3 9 o o o 4 6 o - o 4 7 o o o 5 7 - o o 6 8 o o o 9 11 + o o 10 13 o o o 10 12 o o o 11 13 o o o 
data_K2Se5
_symmetry_space_group_name_H-M   P2_1
_cell_length_a   6.59
_cell_length_b   6.58
_cell_length_c   29.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   4
_chemical_formula_structural   K2Se5
_chemical_formula_sum   'K4 Se10'
_cell_volume   1292.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, y+1/2, -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  2  0.18  0.64  1.0  1.0
  K  K1  2  0.41  0.42  0.11  1.0
  Se  Se2  2  0.02  0.47  0.87  1.0
  Se  Se3  2  0.1  0.9  0.9  1.0
  Se  Se4  2  0.2  0.24  0.92  1.0
  Se  Se5  2  0.33  0.93  0.1  1.0
  Se  Se6  2  0.33  0.11  0.03  1.0
