data_MgTlOsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTlOsPd
_chemical_formula_sum   'Mg1 Tl1 Os1 Pd1'
_cell_volume   68.89
_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  Mg0  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.25  0.25  0.25  1.0
  Os  Os1  1  0.88  0.88  0.88  1.0
  Pd  Pd2  1  0.63  0.63  0.63  1.0

data_MgTlOsPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgTlOsPd
_chemical_formula_sum   'Mg3 Tl3 Os3 Pd3'
_cell_volume   206.66
_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
  Tl  Tl1  3  0.0  0.0  0.75  1.0
  Os  Os2  3  0.0  0.0  0.12  1.0
  Pd  Pd3  3  0.0  0.0  0.37  1.0

Mg Tl Os Pd
Mg Tl Os Pd 0 2 - - - 0 1 o o o 0 1 o o - 0 1 o - o 0 1 - o o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 - - o 1 2 - o - 1 2 o - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 + o o 2 3 o + o 2 3 o o + 2 3 o o o 
MgOsPdTl crystallizes in the trigonal R3m space group. Mg(1) is bonded in a single-bond geometry to one Os(1), three equivalent Pd(1), and four equivalent Tl(1) atoms. The Mg(1)-Os(1) bond length is 1.35 Å. All Mg(1)-Pd(1) bond lengths are 2.69 Å. There are three shorter (2.80 Å) and one longer (2.86 Å) Mg(1)-Tl(1) bond length. Os(1) is bonded in a single-bond geometry to one Mg(1) and three equivalent Tl(1) atoms. All Os(1)-Tl(1) bond lengths are 2.69 Å. Pd(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Tl(1) atoms. All Pd(1)-Tl(1) bond lengths are 2.69 Å. Tl(1) is bonded in a 10-coordinate geometry to four equivalent Mg(1), three equivalent Os(1), and three equivalent Pd(1) atoms.