data_BeTcCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.4
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcCl2
_chemical_formula_sum   'Be1 Tc1 Cl2'
_cell_volume   60.35
_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  Tc3  1  0.11  0.11  0.11  1.0
  Cl  Cl1  1  0.56  0.56  0.56  1.0
  Cl  Cl2  1  0.67  0.67  0.67  1.0

data_BeTcCl2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   10.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeTcCl2
_chemical_formula_sum   'Be3 Tc3 Cl6'
_cell_volume   181.05
_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  0.89  1.0
  Cl  Cl2  3  0.0  0.0  0.33  1.0
  Cl  Cl3  3  0.0  0.0  0.44  1.0

Be Tc Cl Cl
BeTcCl2 crystallizes in the trigonal R3m space group. Be(1) is bonded in a distorted single-bond geometry to one Tc(1) and three equivalent Cl(2) atoms. The Be(1)-Tc(1) bond length is 1.22 Å. All Be(1)-Cl(2) bond lengths are 2.54 Å. Tc(1) is bonded in a distorted single-bond geometry to one Be(1), three equivalent Cl(1), and three equivalent Cl(2) atoms. All Tc(1)-Cl(1) bond lengths are 2.81 Å. All Tc(1)-Cl(2) bond lengths are 2.81 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to three equivalent Tc(1) and one Cl(2) atom to form distorted corner-sharing ClTc3Cl tetrahedra. The Cl(1)-Cl(2) bond length is 1.22 Å. In the second Cl site, Cl(2) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Tc(1), and one Cl(1) atom.