data_KBe2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Re
_chemical_formula_sum   'K1 Be2 Re1'
_cell_volume   64.02
_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  K2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.76  0.76  0.76  1.0
  Be  Be1  1  0.59  0.59  0.59  1.0
  Re  Re3  1  0.18  0.18  0.18  1.0

data_KBe2Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBe2Re
_chemical_formula_sum   'K3 Be6 Re3'
_cell_volume   192.06
_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
  Be  Be1  3  0.0  0.0  0.24  1.0
  Be  Be2  3  0.0  0.0  0.41  1.0
  Re  Re3  3  0.0  0.0  0.82  1.0

K Be Be Re
KBe2Re crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Be(2), four equivalent Be(1), and one Re(1) atom. All K(1)-Be(2) bond lengths are 2.73 Å. There is one shorter (2.61 Å) and three longer (2.80 Å) K(1)-Be(1) bond lengths. The K(1)-Re(1) bond length is 1.93 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 8-coordinate geometry to four equivalent K(1), one Be(2), and three equivalent Re(1) atoms. The Be(1)-Be(2) bond length is 1.93 Å. All Be(1)-Re(1) bond lengths are 2.73 Å. In the second Be site, Be(2) is bonded in a 7-coordinate geometry to three equivalent K(1), one Be(1), and three equivalent Re(1) atoms. All Be(2)-Re(1) bond lengths are 2.73 Å. Re(1) is bonded in a single-bond geometry to one K(1), three equivalent Be(1), and three equivalent Be(2) atoms.