data_MgVInBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVInBi
_chemical_formula_sum   'Mg1 V1 In1 Bi1'
_cell_volume   87.56
_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
  V  V3  1  0.52  0.52  0.52  1.0
  In  In1  1  0.76  0.76  0.76  1.0
  Bi  Bi0  1  0.29  0.29  0.29  1.0

data_MgVInBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   12.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgVInBi
_chemical_formula_sum   'Mg3 V3 In3 Bi3'
_cell_volume   262.69
_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
  V  V1  3  0.0  0.0  0.48  1.0
  In  In2  3  0.0  0.0  0.24  1.0
  Bi  Bi3  3  0.0  0.0  0.71  1.0

Mg V In Bi
MgVInBi crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 11-coordinate geometry to three equivalent V(1), four equivalent In(1), and four equivalent Bi(1) atoms. All Mg(1)-V(1) bond lengths are 3.36 Å. There is one shorter (2.90 Å) and three longer (3.11 Å) Mg(1)-In(1) bond lengths. There are three shorter (2.93 Å) and one longer (3.50 Å) Mg(1)-Bi(1) bond length. V(1) is bonded in a 11-coordinate geometry to three equivalent Mg(1), four equivalent In(1), and four equivalent Bi(1) atoms. There is one shorter (2.90 Å) and three longer (3.11 Å) V(1)-In(1) bond lengths. There is one shorter (2.90 Å) and three longer (3.11 Å) V(1)-Bi(1) bond lengths. In(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), four equivalent V(1), and three equivalent Bi(1) atoms. All In(1)-Bi(1) bond lengths are 3.36 Å. Bi(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), four equivalent V(1), and three equivalent In(1) atoms.