data_BaMgTi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgTi3
_chemical_formula_sum   'Ba1 Mg1 Ti3'
_cell_volume   126.18
_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
  Ba  Ba1  1  0.51  0.51  0.51  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.51  0.0  0.51  1.0
  Ti  Ti3  1  0.51  0.51  0.0  1.0
  Ti  Ti4  1  0.0  0.51  0.51  1.0

data_BaMgTi3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaMgTi3
_chemical_formula_sum   'Ba3 Mg3 Ti9'
_cell_volume   378.54
_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
  Ba  Ba0  3  0.0  0.0  0.51  1.0
  Mg  Mg1  3  0.0  0.0  0.0  1.0
  Ti  Ti2  9  0.17  0.83  0.34  1.0

Ba Mg Ti Ti Ti
BaMgTi3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded to six equivalent Ti(1) atoms to form BaTi6 octahedra that share corners with six equivalent Ba(1)Ti6 octahedra and faces with eight equivalent Mg(1)Ti12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.47 Å) and three longer (2.55 Å) Ba(1)-Ti(1) bond lengths. Mg(1) is bonded to twelve equivalent Ti(1) atoms to form MgTi12 cuboctahedra that share corners with twelve equivalent Mg(1)Ti12 cuboctahedra, faces with six equivalent Mg(1)Ti12 cuboctahedra, and faces with eight equivalent Ba(1)Ti6 octahedra. There are a spread of Mg(1)-Ti(1) bond distances ranging from 3.49-3.60 Å. Ti(1) is bonded in a linear geometry to two equivalent Ba(1) and four equivalent Mg(1) atoms.