data_Mg2CrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrB
_chemical_formula_sum   'Mg2 Cr1 B1'
_cell_volume   52.65
_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
  Mg  Mg2  1  0.84  0.0  0.95  1.0
  Mg  Mg3  1  0.0  0.84  0.95  1.0
  Cr  Cr1  1  0.84  0.84  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Mg2CrB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   3.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2CrB
_chemical_formula_sum   'Mg4 Cr2 B2'
_cell_volume   105.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  4  0.42  0.42  0.95  1.0
  Cr  Cr1  2  0.34  0.5  -0.0  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Mg Mg Cr B
Mg2CrB is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2CrB clusters. Mg(1) is bonded in an L-shaped geometry to one Cr(1) and one B(1) atom. The Mg(1)-Cr(1) bond length is 0.63 Å. The Mg(1)-B(1) bond length is 0.63 Å. Cr(1) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms. B(1) is bonded in an L-shaped geometry to two equivalent Mg(1) atoms.