data_Fe2TcP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   132.42
_cell_angle_beta   132.42
_cell_angle_gamma   69.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcP
_chemical_formula_sum   'Fe2 Tc1 P1'
_cell_volume   46.0
_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
  Fe  Fe0  1  0.0  0.0  0.63  1.0
  Fe  Fe1  1  0.0  0.78  0.81  1.0
  Tc  Tc3  1  0.78  0.0  0.81  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Fe2TcP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   4.42
_cell_angle_alpha   113.79
_cell_angle_beta   113.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2TcP
_chemical_formula_sum   'Fe2 Tc1 P1'
_cell_volume   46.0
_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
  Fe  Fe0  1  0.37  0.0  0.37  1.0
  Fe  Fe1  1  0.97  0.78  0.97  1.0
  Tc  Tc2  1  0.19  0.0  0.97  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Fe Fe Tc P
Fe Fe Tc P 0 2 - o o 0 1 o - o 0 3 o o + 1 3 o + + 2 3 + o + 
TcFe2P crystallizes in the triclinic P1 space group. Tc(1) is bonded in a single-bond geometry to two equivalent Fe(1) and one P(1) atom. There is one shorter (1.64 Å) and one longer (2.95 Å) Tc(1)-Fe(1) bond length. The Tc(1)-P(1) bond length is 0.73 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent Tc(1), two equivalent Fe(2), and two equivalent P(1) atoms. There is one shorter (1.64 Å) and one longer (2.95 Å) Fe(1)-Fe(2) bond length. There is one shorter (1.65 Å) and one longer (2.77 Å) Fe(1)-P(1) bond length. In the second Fe site, Fe(2) is bonded in a single-bond geometry to two equivalent Fe(1) and one P(1) atom. The Fe(2)-P(1) bond length is 0.73 Å. P(1) is bonded in a water-like geometry to one Tc(1), one Fe(2), and two equivalent Fe(1) atoms.