data_Cr2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2TcPd
_chemical_formula_sum   'Cr2 Tc1 Pd1'
_cell_volume   54.36
_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  0.53  0.53  0.07  1.0
  Cr  Cr1  1  0.0  0.0  0.23  1.0
  Tc  Tc3  1  0.0  0.0  0.6  1.0
  Pd  Pd2  1  0.53  0.53  0.81  1.0

data_Cr2TcPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2TcPd
_chemical_formula_sum   'Cr4 Tc2 Pd2'
_cell_volume   108.71
_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
  Cr  Cr0  2  0.0  0.0  0.23  1.0
  Cr  Cr1  2  0.03  0.5  0.07  1.0
  Tc  Tc2  2  0.0  0.0  0.6  1.0
  Pd  Pd3  2  0.03  0.5  0.81  1.0

Cr Cr Tc Pd
Cr Cr Tc Pd 0 3 o o - 0 1 + + o 0 1 + o o 0 1 o + o 0 1 o o o 1 2 o o o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 
Cr2TcPd crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to four equivalent Cr(2) and one Pd(1) atom. There are a spread of Cr(1)-Cr(2) bond distances ranging from 2.22-2.46 Å. The Cr(1)-Pd(1) bond length is 1.55 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to four equivalent Cr(1) and one Tc(1) atom. The Cr(2)-Tc(1) bond length is 2.17 Å. Tc(1) is bonded in a 5-coordinate geometry to one Cr(2) and four equivalent Pd(1) atoms. There are a spread of Tc(1)-Pd(1) bond distances ranging from 2.36-2.59 Å. Pd(1) is bonded in a distorted single-bond geometry to one Cr(1) and four equivalent Tc(1) atoms.