data_MgNbInSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNbInSn
_chemical_formula_sum   'Mg1 Nb1 In1 Sn1'
_cell_volume   98.59
_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  Mg1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.5  0.5  0.5  1.0
  In  In0  1  0.67  0.67  0.67  1.0
  Sn  Sn3  1  0.83  0.83  0.83  1.0

data_MgNbInSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgNbInSn
_chemical_formula_sum   'Mg3 Nb3 In3 Sn3'
_cell_volume   295.78
_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
  Nb  Nb1  3  0.0  0.0  0.5  1.0
  In  In2  3  0.0  0.0  0.33  1.0
  Sn  Sn3  3  0.0  0.0  0.17  1.0

Mg Nb In Sn
MgNbInSn crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted single-bond geometry to three equivalent In(1) and one Sn(1) atom. All Mg(1)-In(1) bond lengths are 2.99 Å. The Mg(1)-Sn(1) bond length is 2.12 Å. Nb(1) is bonded to one In(1) and three equivalent Sn(1) atoms to form distorted NbInSn3 trigonal pyramids that share  a cornercorner with one Sn(1)MgNb3In trigonal bipyramid, corners with three equivalent In(1)Mg3NbSn trigonal bipyramids, and corners with six equivalent Nb(1)InSn3 trigonal pyramids. The Nb(1)-In(1) bond length is 2.12 Å. All Nb(1)-Sn(1) bond lengths are 2.99 Å. In(1) is bonded to three equivalent Mg(1), one Nb(1), and one Sn(1) atom to form distorted InMg3NbSn trigonal bipyramids that share corners with six equivalent In(1)Mg3NbSn trigonal bipyramids, corners with three equivalent Nb(1)InSn3 trigonal pyramids, and edges with three equivalent Sn(1)MgNb3In trigonal bipyramids. The In(1)-Sn(1) bond length is 2.12 Å. Sn(1) is bonded to one Mg(1), three equivalent Nb(1), and one In(1) atom to form distorted SnMgNb3In trigonal bipyramids that share corners with six equivalent Sn(1)MgNb3In trigonal bipyramids,  a cornercorner with one Nb(1)InSn3 trigonal pyramid, and edges with three equivalent In(1)Mg3NbSn trigonal bipyramids.