data_KScSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScSe
_chemical_formula_sum   'K1 Sc1 Se1'
_cell_volume   96.25
_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  0.19  1.0
  Sc  Sc1  1  0.0  0.65  0.55  1.0
  Se  Se2  1  0.29  0.32  0.83  1.0

data_KScSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScSe
_chemical_formula_sum   'K1 Sc1 Se1'
_cell_volume   96.25
_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  0.19  1.0
  Sc  Sc1  1  0.0  0.65  0.55  1.0
  Se  Se2  1  0.29  0.32  0.83  1.0

K Sc Se
K Sc Se 0 1 o - o 0 2 o o - 1 2 o + o 1 2 o o o 
KScSe crystallizes in the triclinic P1 space group. K(1) is bonded in a 2-coordinate geometry to two equivalent Sc(1) and three equivalent Se(1) atoms. There is one shorter (2.46 Å) and one longer (3.50 Å) K(1)-Sc(1) bond length. There are a spread of K(1)-Se(1) bond distances ranging from 2.39-3.71 Å. Sc(1) is bonded in a 5-coordinate geometry to two equivalent K(1) and three equivalent Se(1) atoms. There are a spread of Sc(1)-Se(1) bond distances ranging from 2.87-3.19 Å. Se(1) is bonded in a 6-coordinate geometry to three equivalent K(1) and three equivalent Sc(1) atoms.