data_KSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   127.03
_cell_angle_beta   122.74
_cell_angle_gamma   81.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSe
_chemical_formula_sum   'K2 Se2'
_cell_volume   130.15
_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  0.61  0.6  0.53  1.0
  K  K1  1  0.0  0.21  0.9  1.0
  Se  Se2  1  0.0  0.4  0.59  1.0
  Se  Se3  1  0.61  0.4  0.84  1.0

data_KSe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.23
_cell_length_b   5.62
_cell_length_c   5.86
_cell_angle_alpha   118.63
_cell_angle_beta   116.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KSe
_chemical_formula_sum   'K2 Se2'
_cell_volume   130.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.31  0.63  0.32  1.0
  Se  Se1  2  0.5  0.88  0.18  1.0

K K Se Se