data_LaMgTiIn
_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   LaMgTiIn
_chemical_formula_sum   'La1 Mg1 Ti1 In1'
_cell_volume   98.72
_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
  La  La1  1  0.83  0.83  0.83  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.5  0.5  0.5  1.0
  In  In0  1  0.67  0.67  0.67  1.0

data_LaMgTiIn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaMgTiIn
_chemical_formula_sum   'La3 Mg3 Ti3 In3'
_cell_volume   296.15
_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
  La  La0  3  0.0  0.0  0.17  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Ti  Ti2  3  0.0  0.0  0.5  1.0
  In  In3  3  0.0  0.0  0.33  1.0

La Mg Ti In
La Mg Ti In 0 3 o o o 0 1 + + + 2 3 o o o 
MgLaTiIn crystallizes in the trigonal R3m space group. Mg(1) is bonded to one La(1) and three equivalent In(1) atoms to form distorted MgLaIn3 trigonal pyramids that share  a cornercorner with one In(1)LaMg3Ti trigonal bipyramid, corners with six equivalent Mg(1)LaIn3 trigonal pyramids, and edges with three equivalent Ti(1)La3In trigonal pyramids. The Mg(1)-La(1) bond length is 2.11 Å. All Mg(1)-In(1) bond lengths are 3.00 Å. La(1) is bonded in a 5-coordinate geometry to one Mg(1), three equivalent Ti(1), and one In(1) atom. All La(1)-Ti(1) bond lengths are 3.00 Å. The La(1)-In(1) bond length is 2.11 Å. Ti(1) is bonded to three equivalent La(1) and one In(1) atom to form distorted TiLa3In trigonal pyramids that share corners with three equivalent In(1)LaMg3Ti trigonal bipyramids, corners with six equivalent Ti(1)La3In trigonal pyramids, and edges with three equivalent Mg(1)LaIn3 trigonal pyramids. The Ti(1)-In(1) bond length is 2.11 Å. In(1) is bonded to three equivalent Mg(1), one La(1), and one Ti(1) atom to form distorted InLaMg3Ti trigonal bipyramids that share corners with six equivalent In(1)LaMg3Ti trigonal bipyramids,  a cornercorner with one Mg(1)LaIn3 trigonal pyramid, and corners with three equivalent Ti(1)La3In trigonal pyramids.