data_BeTcOs4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcOs4
_chemical_formula_sum   'Be1 Tc1 Os4'
_cell_volume   92.45
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.38  0.38  0.38  1.0
  Os  Os1  1  0.49  0.49  0.69  1.0
  Os  Os2  1  0.49  0.69  0.49  1.0
  Os  Os3  1  0.69  0.49  0.49  1.0
  Os  Os4  1  0.69  0.69  0.69  1.0

data_BeTcOs4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeTcOs4
_chemical_formula_sum   'Be3 Tc3 Os12'
_cell_volume   277.34
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.62  1.0
  Os  Os2  9  0.07  0.13  0.44  1.0
  Os  Os3  3  0.0  0.0  0.31  1.0

Be Tc Os Os Os Os
BeTcOs4 crystallizes in the trigonal R3m space group. Be(1) is bonded to three equivalent Tc(1), three equivalent Os(2), and six equivalent Os(1) atoms to form distorted BeTc3Os9 cuboctahedra that share corners with three equivalent Tc(1)Be3Os9 cuboctahedra, edges with three equivalent Tc(1)Be3Os9 cuboctahedra, faces with three equivalent Tc(1)Be3Os9 cuboctahedra, and faces with six equivalent Be(1)Tc3Os9 cuboctahedra. All Be(1)-Tc(1) bond lengths are 3.00 Å. All Be(1)-Os(2) bond lengths are 2.94 Å. All Be(1)-Os(1) bond lengths are 3.02 Å. Tc(1) is bonded to three equivalent Be(1), three equivalent Os(2), and six equivalent Os(1) atoms to form distorted TcBe3Os9 cuboctahedra that share corners with three equivalent Be(1)Tc3Os9 cuboctahedra, corners with six equivalent Tc(1)Be3Os9 cuboctahedra, edges with three equivalent Be(1)Tc3Os9 cuboctahedra, edges with six equivalent Tc(1)Be3Os9 cuboctahedra, and faces with three equivalent Be(1)Tc3Os9 cuboctahedra. All Tc(1)-Os(2) bond lengths are 2.95 Å. There are three shorter (2.22 Å) and three longer (3.08 Å) Tc(1)-Os(1) bond lengths. There are two inequivalent Os sites. In the first Os site, Os(2) is bonded in a distorted q6 geometry to three equivalent Be(1), three equivalent Tc(1), and three equivalent Os(1) atoms. All Os(2)-Os(1) bond lengths are 1.78 Å. In the second Os site, Os(1) is bonded in a 2-coordinate geometry to two equivalent Be(1), two equivalent Tc(1), one Os(2), and two equivalent Os(1) atoms. Both Os(1)-Os(1) bond lengths are 1.03 Å.