data_KZnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   139.85
_cell_angle_beta   139.85
_cell_angle_gamma   58.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnSe2
_chemical_formula_sum   'K1 Zn1 Se2'
_cell_volume   96.74
_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
  Zn  Zn3  1  0.0  0.12  0.7  1.0
  Se  Se1  1  0.12  0.0  0.7  1.0
  Se  Se2  1  0.0  0.0  0.39  1.0

data_KZnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   6.17
_cell_angle_alpha   110.07
_cell_angle_beta   110.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnSe2
_chemical_formula_sum   'K1 Zn1 Se2'
_cell_volume   96.74
_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
  Zn  Zn1  1  0.58  0.7  0.58  1.0
  Se  Se2  1  0.39  0.39  0.39  1.0
  Se  Se3  1  0.7  0.58  0.58  1.0

K Zn Se Se