data_KSi2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   147.13
_cell_angle_beta   127.23
_cell_angle_gamma   63.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Se
_chemical_formula_sum   'K1 Si2 Se1'
_cell_volume   90.81
_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  0.0  1.0
  Si  Si2  1  0.69  0.0  0.97  1.0
  Si  Si3  1  0.0  0.65  0.1  1.0
  Se  Se1  1  0.0  0.0  0.07  1.0

data_KSi2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   5.3
_cell_length_c   5.97
_cell_angle_alpha   116.39
_cell_angle_beta   106.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSi2Se
_chemical_formula_sum   'K1 Si2 Se1'
_cell_volume   90.81
_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  0.0  1.0
  Si  Si1  1  0.0  0.97  0.28  1.0
  Si  Si2  1  0.35  0.45  0.45  1.0
  Se  Se3  1  0.0  0.07  0.07  1.0

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