data_MgIn2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   128.97
_cell_angle_beta   128.97
_cell_angle_gamma   75.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Bi
_chemical_formula_sum   'Mg1 In2 Bi1'
_cell_volume   109.35
_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  Mg3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.53  1.0
  In  In2  1  0.0  0.46  0.26  1.0
  Bi  Bi0  1  0.46  0.0  0.26  1.0

data_MgIn2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.71
_cell_angle_alpha   115.51
_cell_angle_beta   115.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Bi
_chemical_formula_sum   'Mg1 In2 Bi1'
_cell_volume   109.35
_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
  In  In1  1  0.2  0.46  0.2  1.0
  In  In2  1  0.47  0.0  0.47  1.0
  Bi  Bi3  1  0.74  0.0  0.2  1.0

Mg In In Bi
MgIn2Bi crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 2-coordinate geometry to one In(2), two equivalent In(1), and one Bi(1) atom. The Mg(1)-In(2) bond length is 2.04 Å. There is one shorter (2.71 Å) and one longer (3.00 Å) Mg(1)-In(1) bond length. The Mg(1)-Bi(1) bond length is 2.04 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one In(2), and one Bi(1) atom. The In(1)-In(2) bond length is 2.45 Å. The In(1)-Bi(1) bond length is 2.45 Å. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Mg(1) and one In(1) atom. Bi(1) is bonded in a 2-coordinate geometry to one Mg(1) and one In(1) atom.