data_MgCdGaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdGaBi
_chemical_formula_sum   'Mg1 Cd1 Ga1 Bi1'
_cell_volume   100.27
_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
  Cd  Cd1  1  0.69  0.69  0.69  1.0
  Ga  Ga2  1  0.53  0.53  0.53  1.0
  Bi  Bi0  1  0.84  0.84  0.84  1.0

data_MgCdGaBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgCdGaBi
_chemical_formula_sum   'Mg3 Cd3 Ga3 Bi3'
_cell_volume   300.82
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.31  1.0
  Ga  Ga2  3  0.0  0.0  0.47  1.0
  Bi  Bi3  3  0.0  0.0  0.16  1.0

Mg Cd Ga Bi
MgCdGaBi crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1) and one Bi(1) atom. All Mg(1)-Cd(1) bond lengths are 3.02 Å. The Mg(1)-Bi(1) bond length is 2.00 Å. Cd(1) is bonded to three equivalent Mg(1), one Ga(1), and one Bi(1) atom to form distorted CdMg3GaBi trigonal bipyramids that share corners with six equivalent Cd(1)Mg3GaBi trigonal bipyramids and corners with three equivalent Ga(1)CdBi3 trigonal pyramids. The Cd(1)-Ga(1) bond length is 2.00 Å. The Cd(1)-Bi(1) bond length is 2.00 Å. Ga(1) is bonded to one Cd(1) and three equivalent Bi(1) atoms to form distorted GaCdBi3 trigonal pyramids that share corners with three equivalent Cd(1)Mg3GaBi trigonal bipyramids and corners with six equivalent Ga(1)CdBi3 trigonal pyramids. All Ga(1)-Bi(1) bond lengths are 3.02 Å. Bi(1) is bonded in a distorted linear geometry to one Mg(1), one Cd(1), and three equivalent Ga(1) atoms.