data_BeTc4W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc4W
_chemical_formula_sum   'Be1 Tc4 W1'
_cell_volume   91.18
_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  Tc1  1  0.67  0.47  0.67  1.0
  Tc  Tc2  1  0.47  0.67  0.67  1.0
  Tc  Tc3  1  0.47  0.47  0.47  1.0
  Tc  Tc4  1  0.67  0.67  0.47  1.0
  W  W5  1  0.79  0.79  0.79  1.0

data_BeTc4W
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   12.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeTc4W
_chemical_formula_sum   'Be3 Tc12 W3'
_cell_volume   273.54
_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  9  0.13  0.07  0.39  1.0
  Tc  Tc2  3  0.0  0.0  0.53  1.0
  W  W3  3  0.0  0.0  0.21  1.0

Be Tc Tc Tc Tc W
BeWTc4 crystallizes in the trigonal R3m space group. Be(1) is bonded to four equivalent W(1) and three equivalent Tc(1) atoms to form distorted corner-sharing BeTc3W4 tetrahedra. There is one shorter (2.65 Å) and three longer (3.27 Å) Be(1)-W(1) bond lengths. All Be(1)-Tc(1) bond lengths are 2.45 Å. W(1) is bonded in a 13-coordinate geometry to four equivalent Be(1), three equivalent Tc(2), and six equivalent Tc(1) atoms. All W(1)-Tc(2) bond lengths are 2.93 Å. There are three shorter (2.31 Å) and three longer (3.00 Å) W(1)-Tc(1) bond lengths. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 6-coordinate geometry to one Be(1), two equivalent W(1), one Tc(2), and two equivalent Tc(1) atoms. The Tc(1)-Tc(2) bond length is 1.76 Å. Both Tc(1)-Tc(1) bond lengths are 1.01 Å. In the second Tc site, Tc(2) is bonded in a 6-coordinate geometry to three equivalent W(1) and three equivalent Tc(1) atoms.