data_MgTiSiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiSiGe
_chemical_formula_sum   'Mg1 Ti1 Si1 Ge1'
_cell_volume   69.25
_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
  Ti  Ti3  1  0.89  0.89  0.89  1.0
  Si  Si2  1  0.26  0.26  0.26  1.0
  Ge  Ge0  1  0.63  0.63  0.63  1.0

data_MgTiSiGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   11.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgTiSiGe
_chemical_formula_sum   'Mg3 Ti3 Si3 Ge3'
_cell_volume   207.76
_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
  Ti  Ti1  3  0.0  0.0  0.11  1.0
  Si  Si2  3  0.0  0.0  0.74  1.0
  Ge  Ge3  3  0.0  0.0  0.37  1.0

Mg Ti Si Ge
MgTiGeSi crystallizes in the trigonal R3m space group. Mg(1) is bonded in a single-bond geometry to one Ti(1), three equivalent Ge(1), and four equivalent Si(1) atoms. The Mg(1)-Ti(1) bond length is 1.25 Å. All Mg(1)-Ge(1) bond lengths are 2.69 Å. There are three shorter (2.79 Å) and one longer (2.93 Å) Mg(1)-Si(1) bond length. Ti(1) is bonded in a single-bond geometry to one Mg(1), four equivalent Ge(1), and three equivalent Si(1) atoms. There are three shorter (2.79 Å) and one longer (2.93 Å) Ti(1)-Ge(1) bond length. All Ti(1)-Si(1) bond lengths are 2.69 Å. Ge(1) is bonded in a 10-coordinate geometry to three equivalent Mg(1), four equivalent Ti(1), and three equivalent Si(1) atoms. All Ge(1)-Si(1) bond lengths are 2.69 Å. Si(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), three equivalent Ti(1), and three equivalent Ge(1) atoms.