data_KSi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66
_cell_length_b   3.84
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Se
_chemical_formula_sum   'K1 Si2 Se1'
_cell_volume   96.88
_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  0.32  1.0
  Si  Si2  1  0.0  0.0  0.55  1.0
  Si  Si3  1  0.83  0.92  0.97  1.0
  Se  Se1  1  0.83  0.92  0.4  1.0

data_KSi2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.84
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Se
_chemical_formula_sum   'K1 Si2 Se1'
_cell_volume   96.88
_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  0.32  1.0
  Si  Si1  1  0.0  0.0  0.55  1.0
  Si  Si2  1  0.83  0.92  0.97  1.0
  Se  Se3  1  0.83  0.92  0.4  1.0

K Si Si Se
K Si Si Se 0 3 - - o 0 2 - - - 1 3 - - o 1 2 - - o 2 3 o o + 