data_MgBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   4.86
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Sb
_chemical_formula_sum   'Mg1 Bi2 Sb1'
_cell_volume   113.66
_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  0.0  1.0
  Bi  Bi0  1  0.7  0.43  0.24  1.0
  Bi  Bi1  1  0.7  0.43  0.63  1.0
  Sb  Sb3  1  0.0  0.0  0.43  1.0

data_MgBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.86
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBi2Sb
_chemical_formula_sum   'Mg1 Bi2 Sb1'
_cell_volume   113.66
_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  0.0  1.0
  Bi  Bi1  1  0.7  0.43  0.24  1.0
  Bi  Bi2  1  0.7  0.43  0.63  1.0
  Sb  Sb3  1  0.0  0.0  0.43  1.0

Mg Bi Bi Sb
Mg Bi Bi Sb 0 1 - - o 0 1 - o o 0 1 o o o 0 2 - o - 0 0 + o o 0 3 o o o 1 3 + o o 1 3 + + o 1 2 o o o 2 3 + o o 2 3 + + o 3 3 + o o 
MgBi2Sb crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Bi(2), two equivalent Bi(1), and one Sb(1) atom. The Mg(1)-Bi(2) bond length is 3.43 Å. There is one shorter (2.83 Å) and one longer (3.37 Å) Mg(1)-Bi(1) bond length. The Mg(1)-Sb(1) bond length is 2.98 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 1-coordinate geometry to two equivalent Mg(1), one Bi(2), and three equivalent Sb(1) atoms. The Bi(1)-Bi(2) bond length is 2.71 Å. There are a spread of Bi(1)-Sb(1) bond distances ranging from 2.68-3.45 Å. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one Mg(1), one Bi(1), two equivalent Bi(2), and three equivalent Sb(1) atoms. Both Bi(2)-Bi(2) bond lengths are 3.41 Å. There are a spread of Bi(2)-Sb(1) bond distances ranging from 2.68-3.45 Å. Sb(1) is bonded in a 9-coordinate geometry to one Mg(1), three equivalent Bi(1), three equivalent Bi(2), and two equivalent Sb(1) atoms. Both Sb(1)-Sb(1) bond lengths are 3.41 Å.