data_KBeInNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeInNi
_chemical_formula_sum   'K1 Be1 In1 Ni1'
_cell_volume   77.37
_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  0.69  0.69  0.69  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.07  0.07  0.07  1.0
  Ni  Ni3  1  0.38  0.38  0.38  1.0

data_KBeInNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   11.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KBeInNi
_chemical_formula_sum   'K3 Be3 In3 Ni3'
_cell_volume   232.12
_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  0.31  1.0
  Be  Be1  3  0.0  0.0  1.0  1.0
  In  In2  3  0.0  0.0  0.93  1.0
  Ni  Ni3  3  0.0  0.0  0.62  1.0

K Be In Ni
K Be In Ni 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o - 2 3 o - o 2 3 - o o 
KBeNiIn crystallizes in the trigonal R3m space group. K(1) is bonded in a 11-coordinate geometry to four equivalent Be(1), four equivalent Ni(1), and three equivalent In(1) atoms. There are three shorter (2.78 Å) and one longer (3.62 Å) K(1)-Be(1) bond length. There are three shorter (2.78 Å) and one longer (3.62 Å) K(1)-Ni(1) bond length. All K(1)-In(1) bond lengths are 2.82 Å. Be(1) is bonded in a single-bond geometry to four equivalent K(1), three equivalent Ni(1), and one In(1) atom. All Be(1)-Ni(1) bond lengths are 2.82 Å. The Be(1)-In(1) bond length is 0.86 Å. Ni(1) is bonded in a 10-coordinate geometry to four equivalent K(1), three equivalent Be(1), and three equivalent In(1) atoms. All Ni(1)-In(1) bond lengths are 2.78 Å. In(1) is bonded in a single-bond geometry to three equivalent K(1), one Be(1), and three equivalent Ni(1) atoms.