data_KSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   147.89
_cell_angle_beta   91.22
_cell_angle_gamma   97.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSe3
_chemical_formula_sum   'K1 Se3'
_cell_volume   145.53
_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
  K  K0  1  0.0  0.0  0.23  1.0
  Se  Se1  1  0.0  0.61  0.9  1.0
  Se  Se2  1  0.0  0.71  0.33  1.0
  Se  Se3  1  0.0  0.5  0.33  1.0

data_KSe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   6.58
_cell_length_c   6.58
_cell_angle_alpha   82.43
_cell_angle_beta   73.94
_cell_angle_gamma   73.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSe3
_chemical_formula_sum   'K1 Se3'
_cell_volume   145.53
_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
  K  K0  1  0.77  0.0  0.23  1.0
  Se  Se1  1  0.1  0.0  0.3  1.0
  Se  Se2  1  0.67  0.0  0.62  1.0
  Se  Se3  1  0.67  0.0  0.83  1.0

K Se Se Se