data_BaCrTcOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCrTcOs
_chemical_formula_sum   'Ba1 Cr1 Tc1 Os1'
_cell_volume   72.1
_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  0.3  0.3  0.3  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.65  0.65  0.65  1.0
  Os  Os2  1  0.96  0.96  0.96  1.0

data_BaCrTcOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaCrTcOs
_chemical_formula_sum   'Ba3 Cr3 Tc3 Os3'
_cell_volume   216.29
_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  0.7  1.0
  Cr  Cr1  3  0.0  0.0  0.0  1.0
  Tc  Tc2  3  0.0  0.0  0.35  1.0
  Os  Os3  3  0.0  0.0  0.04  1.0

Ba Cr Tc Os
BaCrTcOs crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 11-coordinate geometry to four equivalent Cr(1), four equivalent Tc(1), and three equivalent Os(1) atoms. There are three shorter (2.72 Å) and one longer (3.47 Å) Ba(1)-Cr(1) bond length. There are three shorter (2.70 Å) and one longer (3.99 Å) Ba(1)-Tc(1) bond length. All Ba(1)-Os(1) bond lengths are 2.70 Å. Cr(1) is bonded in a single-bond geometry to four equivalent Ba(1), three equivalent Tc(1), and one Os(1) atom. All Cr(1)-Tc(1) bond lengths are 2.70 Å. The Cr(1)-Os(1) bond length is 0.51 Å. Tc(1) is bonded in a distorted trigonal planar geometry to four equivalent Ba(1), three equivalent Cr(1), and four equivalent Os(1) atoms. There are three shorter (2.72 Å) and one longer (3.47 Å) Tc(1)-Os(1) bond length. Os(1) is bonded in a single-bond geometry to three equivalent Ba(1), one Cr(1), and four equivalent Tc(1) atoms.