data_BeTc2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   17.64
_cell_angle_beta   17.64
_cell_angle_gamma   17.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Au
_chemical_formula_sum   'Be1 Tc2 Au1'
_cell_volume   56.96
_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  Be1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.53  1.0
  Tc  Tc3  1  0.0  0.0  0.82  1.0
  Au  Au0  1  0.0  0.0  0.18  1.0

data_BeTc2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   2.74
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeTc2Au
_chemical_formula_sum   'Be2 Tc4 Au2'
_cell_volume   113.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.18  1.0
  Tc  Tc2  2  0.0  0.0  0.47  1.0
  Au  Au3  2  0.0  0.0  0.82  1.0

Be Tc Tc Au
Be Tc Tc Au 0 2 o o - 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 1 2 o o o 
BeTc2Au crystallizes in the monoclinic Cm space group. Be(1) is bonded in a linear geometry to one Tc(2) and one Au(1) atom. The Be(1)-Tc(2) bond length is 1.57 Å. The Be(1)-Au(1) bond length is 1.57 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Tc(2), six equivalent Tc(1), and one Au(1) atom to form a mixture of distorted corner and edge-sharing TcTc7Au hexagonal bipyramids. The Tc(1)-Tc(2) bond length is 2.64 Å. All Tc(1)-Tc(1) bond lengths are 2.74 Å. The Tc(1)-Au(1) bond length is 3.14 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Be(1) and one Tc(1) atom. Au(1) is bonded in a single-bond geometry to one Be(1) and one Tc(1) atom.