data_TaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr
_chemical_formula_sum   'Ta2 Cr2'
_cell_volume   59.97
_cell_formula_units_Z   2
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
  Ta  Ta2  1  0.53  0.0  0.26  1.0
  Ta  Ta3  1  0.0  0.53  0.11  1.0
  Cr  Cr0  1  0.53  0.0  0.68  1.0
  Cr  Cr1  1  0.0  0.53  0.69  1.0

data_TaCr
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   TaCr
_chemical_formula_sum   'Ta4 Cr4'
_cell_volume   119.93
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Ta  Ta0  4  0.23  0.0  0.93  1.0
  Cr  Cr1  4  0.23  0.0  0.5  1.0

Ta Ta Cr Cr
Cr(Ta) is gamma CuTi structured and crystallizes in the monoclinic C2/m space group. Ta(1) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one Cr(1) atom. There are a spread of Ta(1)-Ta(1) bond distances ranging from 2.23-2.51 Å. The Ta(1)-Cr(1) bond length is 2.70 Å. Cr(1) is bonded to one Ta(1) and four equivalent Cr(1) atoms to form a mixture of edge and corner-sharing CrTaCr4 square pyramids. There are a spread of Cr(1)-Cr(1) bond distances ranging from 2.02-2.32 Å.