data_TaBi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBi2P
_chemical_formula_sum   'Ta1 Bi2 P1'
_cell_volume   96.38
_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  0.93  1.0
  Bi  Bi0  1  0.99  0.0  0.26  1.0
  Bi  Bi1  1  0.99  0.0  0.61  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TaBi2P
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.99
_cell_length_b   4.9
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   TaBi2P
_chemical_formula_sum   'Ta2 Bi4 P2'
_cell_volume   192.76
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.07  1.0
  Bi  Bi1  2  0.0  0.0  0.39  1.0
  Bi  Bi2  2  0.0  0.0  0.74  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ta Bi Bi P
Ta Bi Bi P 0 3 o o + 0 1 - o + 0 2 - o o 1 1 o + o 1 1 + o o 1 3 + o o 1 2 o o o 2 2 o + o 2 2 + o o 
TaBi2P crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to one Bi(2) and one P(1) atom. The Ta(1)-Bi(2) bond length is 3.22 Å. The Ta(1)-P(1) bond length is 0.65 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. The Bi(1)-Bi(2) bond length is 3.43 Å. The Bi(1)-P(1) bond length is 2.56 Å. In the second Bi site, Bi(2) is bonded to one Ta(1), one Bi(1), and four equivalent Bi(2) atoms to form a mixture of distorted corner and edge-sharing BiTaBi5 octahedra. The corner-sharing octahedra are not tilted. All Bi(2)-Bi(2) bond lengths are 3.16 Å. P(1) is bonded in a single-bond geometry to one Ta(1) and one Bi(1) atom.