data_TaAs2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   141.37
_cell_angle_beta   128.12
_cell_angle_gamma   66.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2P
_chemical_formula_sum   'Ta1 As2 P1'
_cell_volume   67.14
_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  0.26  0.94  1.0
  As  As0  1  0.0  0.0  0.22  1.0
  As  As1  1  0.71  0.0  0.25  1.0
  P  P2  1  0.0  0.0  0.25  1.0

data_TaAs2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.53
_cell_length_c   5.18
_cell_angle_alpha   115.94
_cell_angle_beta   109.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAs2P
_chemical_formula_sum   'Ta1 As2 P1'
_cell_volume   67.14
_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  0.06  0.33  0.33  1.0
  As  As1  1  0.46  0.75  0.46  1.0
  As  As2  1  0.78  0.78  0.78  1.0
  P  P3  1  0.75  0.75  0.75  1.0

Ta As As P
TaAs2P crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 6-coordinate geometry to one As(1), three equivalent As(2), and two equivalent P(1) atoms. The Ta(1)-As(1) bond length is 2.67 Å. There are a spread of Ta(1)-As(2) bond distances ranging from 2.04-3.19 Å. There is one shorter (2.64 Å) and one longer (2.74 Å) Ta(1)-P(1) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Ta(1) and one P(1) atom. The As(1)-P(1) bond length is 0.14 Å. In the second As site, As(2) is bonded in a distorted L-shaped geometry to three equivalent Ta(1) and one P(1) atom. The As(2)-P(1) bond length is 1.51 Å. P(1) is bonded in a distorted single-bond geometry to two equivalent Ta(1), one As(1), and one As(2) atom.