data_KSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   6.92
_cell_angle_alpha   97.86
_cell_angle_beta   97.86
_cell_angle_gamma   65.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSe
_chemical_formula_sum   'K3 Se3'
_cell_volume   188.99
_cell_formula_units_Z   3
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  0.02  0.0  0.54  1.0
  K  K1  1  0.27  0.0  0.08  1.0
  K  K2  1  0.96  0.0  0.5  1.0
  Se  Se3  1  0.03  0.0  0.26  1.0
  Se  Se4  1  0.9  0.0  0.76  1.0
  Se  Se5  1  0.81  0.0  0.48  1.0

data_KSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   6.92
_cell_angle_alpha   82.14
_cell_angle_beta   82.14
_cell_angle_gamma   65.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSe
_chemical_formula_sum   'K3 Se3'
_cell_volume   188.99
_cell_formula_units_Z   3
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  0.04  0.0  0.5  1.0
  K  K1  1  0.73  0.0  0.08  1.0
  K  K2  1  0.98  0.0  0.54  1.0
  Se  Se3  1  0.1  0.0  0.76  1.0
  Se  Se4  1  0.19  0.0  0.48  1.0
  Se  Se5  1  0.97  0.0  0.26  1.0

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