data_Ta2CuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuP
_chemical_formula_sum   'Ta2 Cu1 P1'
_cell_volume   63.28
_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  0.77  0.0  0.21  1.0
  Ta  Ta3  1  0.0  0.0  0.65  1.0
  Cu  Cu0  1  0.77  0.0  0.64  1.0
  P  P1  1  0.0  0.0  0.99  1.0

data_Ta2CuP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CuP
_chemical_formula_sum   'Ta2 Cu1 P1'
_cell_volume   63.28
_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  Ta0  1  0.0  0.0  0.65  1.0
  Ta  Ta1  1  0.77  0.0  0.21  1.0
  Cu  Cu2  1  0.77  0.0  0.64  1.0
  P  P3  1  0.0  0.0  0.99  1.0

Ta Ta Cu P
Ta Ta Cu P 0 3 + o - 1 2 - o o 
CuTaTaP crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one tantalum phosphide molecule and one CuTa cluster. In the CuTa cluster, Ta(2) is bonded in a single-bond geometry to one Cu(1) atom. The Ta(2)-Cu(1) bond length is 0.69 Å. Cu(1) is bonded in a single-bond geometry to one Ta(2) atom.