data_CaTaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   148.9
_cell_angle_beta   148.9
_cell_angle_gamma   44.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTaCr
_chemical_formula_sum   'Ca1 Ta1 Cr1'
_cell_volume   61.85
_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
  Ca  Ca0  1  0.0  0.0  0.29  1.0
  Ta  Ta2  1  0.0  0.0  0.07  1.0
  Cr  Cr1  1  0.0  0.0  0.4  1.0

data_CaTaCr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   112.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTaCr
_chemical_formula_sum   'Ca2 Ta2 Cr2'
_cell_volume   123.7
_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
  Ca  Ca0  2  0.29  0.0  0.29  1.0
  Ta  Ta1  2  0.07  0.0  0.07  1.0
  Cr  Cr2  2  0.4  0.0  0.4  1.0

Ca Ta Cr
CaTaCr is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTaCr clusters. Ca(1) is bonded in a linear geometry to one Ta(1) and one Cr(1) atom. The Ca(1)-Ta(1) bond length is 1.37 Å. The Ca(1)-Cr(1) bond length is 0.66 Å. Ta(1) is bonded in a single-bond geometry to one Ca(1) atom. Cr(1) is bonded in a single-bond geometry to one Ca(1) atom.