data_MgReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.35
_cell_angle_alpha   100.5
_cell_angle_beta   100.5
_cell_angle_gamma   41.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReBi2
_chemical_formula_sum   'Mg1 Re1 Bi2'
_cell_volume   102.62
_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  0.97  0.0  0.79  1.0
  Re  Re3  1  0.61  0.0  0.91  1.0
  Bi  Bi0  1  0.15  0.0  0.53  1.0
  Bi  Bi1  1  0.45  0.0  0.11  1.0

data_MgReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.0
_cell_length_c   6.35
_cell_angle_alpha   100.5
_cell_angle_beta   90.0
_cell_angle_gamma   110.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReBi2
_chemical_formula_sum   'Mg1 Re1 Bi2'
_cell_volume   102.62
_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  0.03  0.21  1.0
  Re  Re1  1  0.0  0.39  0.09  1.0
  Bi  Bi2  1  0.0  0.55  0.89  1.0
  Bi  Bi3  1  0.0  0.85  0.47  1.0

Mg Re Bi Bi
MgReBi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgReBi2 cluster. Mg(1) is bonded in a distorted bent 150 degrees geometry to one Re(1) and one Bi(1) atom. The Mg(1)-Re(1) bond length is 2.10 Å. The Mg(1)-Bi(1) bond length is 2.02 Å. Re(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Bi(2) atom. The Re(1)-Bi(2) bond length is 1.58 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one Mg(1) atom. In the second Bi site, Bi(2) is bonded in a 1-coordinate geometry to one Re(1) atom.