data_KReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   135.6
_cell_angle_beta   135.6
_cell_angle_gamma   64.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReSi2
_chemical_formula_sum   'K1 Re1 Si2'
_cell_volume   72.05
_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  0.48  1.0
  Re  Re1  1  0.0  0.0  0.24  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.24  1.0

data_KReSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   122.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KReSi2
_chemical_formula_sum   'K2 Re2 Si4'
_cell_volume   144.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.48  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.5  0.5  0.24  1.0
  Si  Si3  2  0.5  0.5  0.24  1.0

K Re Si Si 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
KReSi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KReSi2 cluster. K(1) is bonded in a 3-coordinate geometry to one Re(1), one Si(1), and one Si(2) atom. The K(1)-Re(1) bond length is 1.30 Å. The K(1)-Si(1) bond length is 2.74 Å. The K(1)-Si(2) bond length is 1.30 Å. Re(1) is bonded in a distorted single-bond geometry to one K(1) and one Si(2) atom. The Re(1)-Si(2) bond length is 0.02 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one K(1) atom. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one K(1) and one Re(1) atom.