data_Cr3GeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3GeB
_chemical_formula_sum   'Cr3 Ge1 B1'
_cell_volume   59.25
_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
  Cr  Cr0  1  0.0  0.95  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.95  1.0
  Cr  Cr2  1  0.95  0.0  0.0  1.0
  Ge  Ge3  1  0.95  0.95  0.95  1.0
  B  B4  1  0.0  0.0  0.0  1.0

data_Cr3GeB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr3GeB
_chemical_formula_sum   'Cr9 Ge3 B3'
_cell_volume   177.76
_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
  Cr  Cr0  9  0.02  0.03  0.98  1.0
  Ge  Ge1  3  0.0  0.0  0.95  1.0
  B  B2  3  0.0  0.0  0.0  1.0

Cr Cr Cr Ge B
Cr Cr Cr Ge B 0 4 o + o 0 3 - o - 1 4 o o + 1 3 - - o 2 4 + o o 2 3 o - - 
Cr3BGe is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Cr3BGe clusters. Cr(1) is bonded in a distorted L-shaped geometry to one B(1) and one Ge(1) atom. The Cr(1)-B(1) bond length is 0.20 Å. The Cr(1)-Ge(1) bond length is 0.28 Å. B(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. Ge(1) is bonded in a 3-coordinate geometry to three equivalent Cr(1) atoms.