data_TaCuP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCuP2
_chemical_formula_sum   'Ta1 Cu1 P2'
_cell_volume   57.02
_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  Ta3  1  0.0  0.0  0.72  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.62  0.62  0.37  1.0
  P  P2  1  0.62  0.62  0.07  1.0

data_TaCuP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCuP2
_chemical_formula_sum   'Ta2 Cu2 P4'
_cell_volume   114.03
_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  0.0  0.0  0.72  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.12  0.5  0.07  1.0
  P  P3  2  0.12  0.5  0.37  1.0

Ta Cu P P
TaCuP2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a distorted single-bond geometry to one Cu(1) and three equivalent P(1) atoms. The Ta(1)-Cu(1) bond length is 1.52 Å. There is one shorter (2.57 Å) and two longer (3.02 Å) Ta(1)-P(1) bond lengths. Cu(1) is bonded in a 2-coordinate geometry to one Ta(1) and one P(2) atom. The Cu(1)-P(2) bond length is 1.79 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to three equivalent Ta(1) and one P(2) atom. The P(1)-P(2) bond length is 1.67 Å. In the second P site, P(2) is bonded in a 1-coordinate geometry to one Cu(1) and one P(1) atom.