data_KBeCdIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeCdIn
_chemical_formula_sum   'K1 Be1 Cd1 In1'
_cell_volume   97.76
_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  K3  1  0.83  0.83  0.83  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.48  0.48  0.48  1.0
  In  In2  1  0.66  0.66  0.66  1.0

data_KBeCdIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBeCdIn
_chemical_formula_sum   'K3 Be3 Cd3 In3'
_cell_volume   293.29
_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  0.17  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.52  1.0
  In  In3  3  0.0  0.0  0.34  1.0

K Be Cd In
K Be Cd In 0 3 o o o 0 1 + + + 2 3 o o o 
KBeCdIn crystallizes in the trigonal R3m space group. K(1) is bonded to one Be(1), three equivalent Cd(1), and one In(1) atom to form distorted KBeCd3In trigonal bipyramids that share corners with six equivalent K(1)BeCd3In trigonal bipyramids and  a cornercorner with one Cd(1)K3In trigonal pyramid. The K(1)-Be(1) bond length is 2.18 Å. All K(1)-Cd(1) bond lengths are 2.99 Å. The K(1)-In(1) bond length is 2.18 Å. Be(1) is bonded in a distorted single-bond geometry to one K(1) atom. Cd(1) is bonded to three equivalent K(1) and one In(1) atom to form CdK3In trigonal pyramids that share  a cornercorner with one K(1)BeCd3In trigonal bipyramid and corners with six equivalent Cd(1)K3In trigonal pyramids. The Cd(1)-In(1) bond length is 2.18 Å. In(1) is bonded in a 1-coordinate geometry to one K(1) and one Cd(1) atom.