data_KSiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   139.5
_cell_angle_beta   139.5
_cell_angle_gamma   58.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiSe2
_chemical_formula_sum   'K1 Si1 Se2'
_cell_volume   95.48
_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  0.12  0.0  0.67  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.33  1.0
  Se  Se2  1  0.0  0.12  0.67  1.0

data_KSiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.11
_cell_angle_alpha   110.25
_cell_angle_beta   110.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSiSe2
_chemical_formula_sum   'K1 Si1 Se2'
_cell_volume   95.48
_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  0.67  0.55  0.55  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.33  0.33  0.33  1.0
  Se  Se3  1  0.55  0.67  0.55  1.0

K Si Se Se