data_MgSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiBi2
_chemical_formula_sum   'Mg1 Si1 Bi2'
_cell_volume   100.67
_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  0.0  0.0  0.21  1.0
  Si  Si3  1  0.24  0.0  0.54  1.0
  Bi  Bi0  1  0.0  0.0  0.44  1.0
  Bi  Bi1  1  0.24  0.0  0.52  1.0

data_MgSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiBi2
_chemical_formula_sum   'Mg1 Si1 Bi2'
_cell_volume   100.67
_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  Mg0  1  0.0  0.0  0.21  1.0
  Si  Si1  1  0.24  0.0  0.54  1.0
  Bi  Bi2  1  0.0  0.0  0.44  1.0
  Bi  Bi3  1  0.24  0.0  0.52  1.0

Mg Si Bi Bi
MgSiBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgSiBi2 cluster. Mg(1) is bonded in a single-bond geometry to one Bi(1) atom. The Mg(1)-Bi(1) bond length is 2.13 Å. Si(1) is bonded in a single-bond geometry to one Bi(2) atom. The Si(1)-Bi(2) bond length is 0.22 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Bi(2) atom. The Bi(1)-Bi(2) bond length is 1.07 Å. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Si(1) and one Bi(1) atom.