data_Tc2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   149.81
_cell_angle_beta   149.63
_cell_angle_gamma   43.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BP
_chemical_formula_sum   'Tc2 B1 P1'
_cell_volume   49.03
_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
  Tc  Tc2  1  0.0  0.0  0.36  1.0
  Tc  Tc3  1  0.51  0.0  0.23  1.0
  B  B0  1  0.0  0.0  0.95  1.0
  P  P1  1  0.0  0.51  0.21  1.0

data_Tc2BP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.03
_cell_length_c   5.78
_cell_angle_alpha   105.18
_cell_angle_beta   105.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BP
_chemical_formula_sum   'Tc2 B1 P1'
_cell_volume   49.03
_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
  Tc  Tc0  1  0.28  0.77  0.28  1.0
  Tc  Tc1  1  0.64  0.64  0.64  1.0
  B  B2  1  0.05  0.05  0.05  1.0
  P  P3  1  0.79  0.3  0.3  1.0

Tc Tc B P
Tc Tc B P 0 1 - o o 0 3 o - o 0 2 o o - 1 3 o - - 1 3 o o o 1 3 + - o 1 3 + o + 1 2 o o - 1 2 + o o 2 3 o o + 2 3 o - o 
Tc2BP crystallizes in the triclinic P1 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to one Tc(2), one B(1), and two equivalent P(1) atoms. The Tc(1)-Tc(2) bond length is 2.25 Å. The Tc(1)-B(1) bond length is 2.37 Å. There is one shorter (2.11 Å) and one longer (2.79 Å) Tc(1)-P(1) bond length. In the second Tc site, Tc(2) is bonded in a 7-coordinate geometry to one Tc(1), two equivalent B(1), and four equivalent P(1) atoms. There is one shorter (1.73 Å) and one longer (2.22 Å) Tc(2)-B(1) bond length. There are a spread of Tc(2)-P(1) bond distances ranging from 2.10-2.19 Å. B(1) is bonded in a 5-coordinate geometry to one Tc(1), two equivalent Tc(2), and two equivalent P(1) atoms. There is one shorter (1.83 Å) and one longer (2.32 Å) B(1)-P(1) bond length. P(1) is bonded in a 8-coordinate geometry to two equivalent Tc(1), four equivalent Tc(2), and two equivalent B(1) atoms.