data_Cr2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   145.0
_cell_angle_beta   129.6
_cell_angle_gamma   62.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcMo
_chemical_formula_sum   'Cr2 Tc1 Mo1'
_cell_volume   53.97
_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
  Cr  Cr0  1  0.0  0.0  0.06  1.0
  Cr  Cr1  1  0.5  0.0  0.09  1.0
  Tc  Tc3  1  0.0  0.12  0.15  1.0
  Mo  Mo2  1  0.0  0.0  0.2  1.0

data_Cr2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.24
_cell_length_c   4.98
_cell_angle_alpha   115.2
_cell_angle_beta   107.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcMo
_chemical_formula_sum   'Cr2 Tc1 Mo1'
_cell_volume   53.97
_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
  Cr  Cr0  1  0.41  0.91  0.41  1.0
  Cr  Cr1  1  0.94  0.94  0.94  1.0
  Tc  Tc2  1  0.85  0.97  0.97  1.0
  Mo  Mo3  1  0.8  0.8  0.8  1.0

Cr Cr Tc Mo
Cr Cr Tc Mo 0 2 o o o 0 1 o o o 0 1 - o o 0 3 o o o 1 2 o o o 1 2 + o o 1 3 + o o 
MoCr2Tc crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MoCr2Tc cluster. Mo(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Cr(2) atom. The Mo(1)-Cr(1) bond length is 0.68 Å. The Mo(1)-Cr(2) bond length is 2.19 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a water-like geometry to one Mo(1) and one Tc(1) atom. The Cr(1)-Tc(1) bond length is 0.35 Å. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. Tc(1) is bonded in a single-bond geometry to one Cr(1) atom.