data_ZrTa2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.83
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Bi
_chemical_formula_sum   'Zr1 Ta2 Bi1'
_cell_volume   85.58
_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
  Zr  Zr3  1  0.15  0.0  0.72  1.0
  Ta  Ta1  1  0.06  0.0  0.2  1.0
  Ta  Ta2  1  0.23  0.42  0.3  1.0
  Bi  Bi0  1  0.83  0.42  0.22  1.0

data_ZrTa2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.83
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   99.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Bi
_chemical_formula_sum   'Zr1 Ta2 Bi1'
_cell_volume   85.58
_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
  Zr  Zr0  1  0.15  0.0  0.72  1.0
  Ta  Ta1  1  0.06  0.0  0.2  1.0
  Ta  Ta2  1  0.23  0.42  0.3  1.0
  Bi  Bi3  1  0.83  0.42  0.22  1.0

Zr Ta Ta Bi
ZrTa2Bi crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. There is one shorter (2.76 Å) and one longer (2.98 Å) Zr(1)-Ta(1) bond length. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 5-coordinate geometry to two equivalent Zr(1), one Ta(2), and two equivalent Bi(1) atoms. The Ta(1)-Ta(2) bond length is 2.14 Å. There is one shorter (2.16 Å) and one longer (2.92 Å) Ta(1)-Bi(1) bond length. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to one Ta(1) and two equivalent Bi(1) atoms. There is one shorter (1.26 Å) and one longer (2.04 Å) Ta(2)-Bi(1) bond length. Bi(1) is bonded in a 1-coordinate geometry to two equivalent Ta(1) and two equivalent Ta(2) atoms.