data_KReSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87
_cell_length_b   9.87
_cell_length_c   9.87
_cell_angle_alpha   17.7
_cell_angle_beta   17.7
_cell_angle_gamma   17.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KReSi2
_chemical_formula_sum   'K1 Re1 Si2'
_cell_volume   77.68
_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
  Re  Re1  1  0.0  0.0  0.58  1.0
  Si  Si2  1  0.0  0.0  0.84  1.0
  Si  Si3  1  0.0  0.0  0.31  1.0

data_KReSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   3.04
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KReSi2
_chemical_formula_sum   'K2 Re2 Si4'
_cell_volume   155.37
_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  0.0  1.0
  Re  Re1  2  -0.0  0.0  0.42  1.0
  Si  Si2  2  -0.0  0.0  0.16  1.0
  Si  Si3  2  0.0  0.0  0.69  1.0

K Re Si Si
K Re Si Si 0 2 o o - 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
KReSi2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a single-bond geometry to one Si(1) and one Si(2) atom. The K(1)-Si(1) bond length is 1.54 Å. The K(1)-Si(2) bond length is 3.05 Å. Re(1) is bonded to six equivalent Re(1), one Si(1), and one Si(2) atom to form a mixture of corner and edge-sharing ReRe6Si2 hexagonal bipyramids. All Re(1)-Re(1) bond lengths are 3.04 Å. The Re(1)-Si(1) bond length is 2.64 Å. The Re(1)-Si(2) bond length is 2.64 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a single-bond geometry to one K(1) and one Re(1) atom. In the second Si site, Si(2) is bonded in a distorted linear geometry to one K(1) and one Re(1) atom.