data_BeNiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   3.83
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiGe
_chemical_formula_sum   'Be1 Ni1 Ge1'
_cell_volume   39.79
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.71  0.71  0.71  1.0
  Ge  Ge1  1  0.35  0.35  0.35  1.0

data_BeNiGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeNiGe
_chemical_formula_sum   'Be3 Ni3 Ge3'
_cell_volume   119.37
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  3  0.0  0.0  0.29  1.0
  Ge  Ge2  3  0.0  0.0  0.65  1.0

Be Ni Ge
Be Ni Ge 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o + 1 2 o + o 1 2 + o o 
BeNiGe crystallizes in the trigonal R3m space group. Be(1) is bonded to four equivalent Ni(1) and three equivalent Ge(1) atoms to form BeNi4Ge3 hexagonal pyramids that share corners with three equivalent Ni(1)Be4Ge3 hexagonal pyramids, corners with six equivalent Be(1)Ni4Ge3 hexagonal pyramids, edges with three equivalent Ni(1)Be4Ge3 hexagonal pyramids, and edges with six equivalent Be(1)Ni4Ge3 hexagonal pyramids. There are three shorter (2.25 Å) and one longer (2.73 Å) Be(1)-Ni(1) bond length. All Be(1)-Ge(1) bond lengths are 2.22 Å. Ni(1) is bonded to four equivalent Be(1) and three equivalent Ge(1) atoms to form NiBe4Ge3 hexagonal pyramids that share corners with three equivalent Be(1)Ni4Ge3 hexagonal pyramids, corners with six equivalent Ni(1)Be4Ge3 hexagonal pyramids, edges with three equivalent Be(1)Ni4Ge3 hexagonal pyramids, and edges with six equivalent Ni(1)Be4Ge3 hexagonal pyramids. All Ni(1)-Ge(1) bond lengths are 2.22 Å. Ge(1) is bonded in a hexagonal planar geometry to three equivalent Be(1) and three equivalent Ni(1) atoms.