data_Ba2MgTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgTi
_chemical_formula_sum   'Ba2 Mg1 Ti1'
_cell_volume   144.68
_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  Ba0  1  0.04  0.0  0.96  1.0
  Ba  Ba1  1  0.0  0.04  0.96  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.04  0.04  0.0  1.0

data_Ba2MgTi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.58
_cell_length_b   8.58
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2MgTi
_chemical_formula_sum   'Ba4 Mg2 Ti2'
_cell_volume   289.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Ba0  4  0.02  0.02  0.96  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Ti  Ti2  2  0.04  0.0  -0.0  1.0

Ba Ba Mg Ti
Ba Ba Mg Ti 0 2 o o + 0 1 o o o 0 3 o o + 1 2 o o + 1 3 o o + 2 3 o o o 
Ba2MgTi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ba2MgTi clusters. Ba(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Ti(1) atom. The Ba(1)-Ba(1) bond length is 0.30 Å. The Ba(1)-Mg(1) bond length is 0.26 Å. The Ba(1)-Ti(1) bond length is 0.26 Å. Mg(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Ti(1) atom. The Mg(1)-Ti(1) bond length is 0.30 Å. Ti(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Mg(1) atom.