data_BaTiCdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTiCdOs
_chemical_formula_sum   'Ba1 Ti1 Cd1 Os1'
_cell_volume   86.05
_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  0.26  0.26  0.26  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.5  0.5  0.5  1.0
  Os  Os2  1  0.75  0.75  0.75  1.0

data_BaTiCdOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaTiCdOs
_chemical_formula_sum   'Ba3 Ti3 Cd3 Os3'
_cell_volume   258.14
_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  0.74  1.0
  Ti  Ti1  3  0.0  0.0  -0.0  1.0
  Cd  Cd2  3  0.0  0.0  0.5  1.0
  Os  Os3  3  0.0  0.0  0.25  1.0

Ba Ti Cd Os
BaTiOsCd is Tungsten-derived structured and crystallizes in the trigonal R3m space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1), six equivalent Os(1), and four equivalent Cd(1) atoms. There are three shorter (3.01 Å) and one longer (3.11 Å) Ba(1)-Ti(1) bond length. There are three shorter (3.48 Å) and three longer (3.53 Å) Ba(1)-Os(1) bond lengths. There is one shorter (3.01 Å) and three longer (3.04 Å) Ba(1)-Cd(1) bond lengths. Ti(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Os(1) atoms. There is one shorter (3.01 Å) and three longer (3.04 Å) Ti(1)-Os(1) bond lengths. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ba(1), four equivalent Ti(1), and four equivalent Cd(1) atoms. There is one shorter (3.01 Å) and three longer (3.04 Å) Os(1)-Cd(1) bond lengths. Cd(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Os(1) atoms.