data_Ta2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrMo
_chemical_formula_sum   'Ta2 Cr1 Mo1'
_cell_volume   63.65
_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
  Ta  Ta2  1  0.58  0.58  0.81  1.0
  Ta  Ta3  1  0.58  0.58  0.54  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.17  1.0

data_Ta2CrMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CrMo
_chemical_formula_sum   'Ta4 Cr2 Mo2'
_cell_volume   127.31
_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
  Ta  Ta0  2  0.08  0.5  0.54  1.0
  Ta  Ta1  2  0.08  0.5  0.81  1.0
  Cr  Cr2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.17  1.0

Ta Ta Cr Mo
Ta Ta Cr Mo 0 1 o o o 2 3 o o o 
Ta2MoCr crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to one Ta(2) and four equivalent Cr(1) atoms. The Ta(1)-Ta(2) bond length is 1.73 Å. There are a spread of Ta(1)-Cr(1) bond distances ranging from 2.23-2.89 Å. In the second Ta site, Ta(2) is bonded in a 9-coordinate geometry to one Ta(1), four equivalent Ta(2), and four equivalent Mo(1) atoms. All Ta(2)-Ta(2) bond lengths are 3.17 Å. There are a spread of Ta(2)-Mo(1) bond distances ranging from 2.97-3.49 Å. Mo(1) is bonded in a single-bond geometry to four equivalent Ta(2) and one Cr(1) atom. The Mo(1)-Cr(1) bond length is 1.09 Å. Cr(1) is bonded in a distorted single-bond geometry to four equivalent Ta(1) and one Mo(1) atom.