data_KBe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2W
_chemical_formula_sum   'K1 Be2 W1'
_cell_volume   65.69
_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  0.6  0.6  0.6  1.0
  Be  Be1  1  0.8  0.8  0.8  1.0
  W  W3  1  0.2  0.2  0.2  1.0

data_KBe2W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBe2W
_chemical_formula_sum   'K3 Be6 W3'
_cell_volume   197.07
_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  0.2  1.0
  Be  Be2  3  0.0  0.0  0.4  1.0
  W  W3  3  0.0  0.0  0.8  1.0

K Be Be W
KBe2W crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted linear geometry to one Be(2), three equivalent Be(1), and one W(1) atom. The K(1)-Be(2) bond length is 2.18 Å. All K(1)-Be(1) bond lengths are 2.71 Å. The K(1)-W(1) bond length is 2.25 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to three equivalent K(1), one Be(2), and three equivalent W(1) atoms to form distorted edge-sharing BeK3BeW3 hexagonal pyramids. The Be(1)-Be(2) bond length is 2.25 Å. All Be(1)-W(1) bond lengths are 2.71 Å. In the second Be site, Be(2) is bonded in a distorted single-bond geometry to one K(1) and one Be(1) atom. W(1) is bonded in a distorted single-bond geometry to one K(1) and three equivalent Be(1) atoms.