data_KReSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReSi
_chemical_formula_sum   'K1 Re1 Si1'
_cell_volume   83.03
_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  0.19  0.19  0.19  1.0
  Re  Re1  1  0.46  0.46  0.46  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_KReSi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   11.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KReSi
_chemical_formula_sum   'K3 Re3 Si3'
_cell_volume   249.1
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.81  1.0
  Si  Si1  3  0.0  0.0  -0.0  1.0
  Re  Re2  3  0.0  0.0  0.54  1.0

K Re Si
KReSi is half-Heusler structured and crystallizes in the trigonal R3m space group. K(1) is bonded in a 8-coordinate geometry to four equivalent Re(1) and four equivalent Si(1) atoms. There are three shorter (2.93 Å) and one longer (3.22 Å) K(1)-Re(1) bond length. There is one shorter (2.33 Å) and three longer (3.28 Å) K(1)-Si(1) bond lengths. Re(1) is bonded to four equivalent K(1) atoms to form distorted corner-sharing ReK4 tetrahedra. Si(1) is bonded in a distorted single-bond geometry to four equivalent K(1) atoms.