data_CaTa2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   2.74
_cell_angle_alpha   99.06
_cell_angle_beta   99.06
_cell_angle_gamma   119.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2V
_chemical_formula_sum   'Ca1 Ta2 V1'
_cell_volume   77.13
_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  0.0  1.0
  Ta  Ta1  1  0.04  0.52  0.3  1.0
  Ta  Ta2  1  0.04  0.48  0.3  1.0
  V  V3  1  0.94  0.0  0.0  1.0

data_CaTa2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.66
_cell_length_c   5.84
_cell_angle_alpha   116.61
_cell_angle_beta   99.06
_cell_angle_gamma   99.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2V
_chemical_formula_sum   'Ca1 Ta2 V1'
_cell_volume   77.13
_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  0.0  1.0
  Ta  Ta1  1  0.78  0.48  0.52  1.0
  Ta  Ta2  1  0.82  0.52  0.56  1.0
  V  V3  1  0.0  0.0  0.94  1.0

Ca Ta Ta V
VCa(Ta)2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one tantalum molecule and one VCa cluster. In the VCa cluster, Ca(1) is bonded in a single-bond geometry to one V(1) atom. The Ca(1)-V(1) bond length is 0.33 Å. V(1) is bonded in a single-bond geometry to one Ca(1) atom.