data_KScGaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KScGaRe
_chemical_formula_sum   'K1 Sc1 Ga1 Re1'
_cell_volume   79.57
_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  K1  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.12  0.12  0.12  1.0
  Ga  Ga0  1  0.71  0.71  0.71  1.0
  Re  Re2  1  0.41  0.41  0.41  1.0

data_KScGaRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   11.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KScGaRe
_chemical_formula_sum   'K3 Sc3 Ga3 Re3'
_cell_volume   238.72
_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  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.88  1.0
  Ga  Ga2  3  0.0  0.0  0.29  1.0
  Re  Re3  3  0.0  0.0  0.59  1.0

K Sc Ga Re
KScReGa crystallizes in the trigonal R3m space group. K(1) is bonded in a single-bond geometry to one Sc(1), three equivalent Re(1), and four equivalent Ga(1) atoms. The K(1)-Sc(1) bond length is 1.43 Å. All K(1)-Re(1) bond lengths are 2.95 Å. There are three shorter (2.83 Å) and one longer (3.47 Å) K(1)-Ga(1) bond length. Sc(1) is bonded in a single-bond geometry to one K(1), four equivalent Re(1), and three equivalent Ga(1) atoms. There are three shorter (2.83 Å) and one longer (3.47 Å) Sc(1)-Re(1) bond length. All Sc(1)-Ga(1) bond lengths are 2.95 Å. Re(1) is bonded in a 10-coordinate geometry to three equivalent K(1), four equivalent Sc(1), and three equivalent Ga(1) atoms. All Re(1)-Ga(1) bond lengths are 2.83 Å. Ga(1) is bonded in a 10-coordinate geometry to four equivalent K(1), three equivalent Sc(1), and three equivalent Re(1) atoms.