data_ZrMnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnBi
_chemical_formula_sum   'Zr1 Mn1 Bi1'
_cell_volume   62.57
_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  Zr2  1  0.0  0.68  0.11  1.0
  Mn  Mn1  1  0.0  0.0  0.87  1.0
  Bi  Bi0  1  0.32  0.34  0.37  1.0

data_ZrMnBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnBi
_chemical_formula_sum   'Zr1 Mn1 Bi1'
_cell_volume   62.57
_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  0.11  0.0  0.68  1.0
  Mn  Mn1  1  0.87  0.0  0.0  1.0
  Bi  Bi2  1  0.37  0.32  0.34  1.0

Zr Mn Bi
Zr Mn Bi 0 1 o + - 1 2 o o + 1 2 o o o 
ZrMnBi crystallizes in the triclinic P1 space group. Zr(1) is bonded in a 1-coordinate geometry to one Mn(1) and two equivalent Bi(1) atoms. The Zr(1)-Mn(1) bond length is 1.69 Å. There is one shorter (2.81 Å) and one longer (2.85 Å) Zr(1)-Bi(1) bond length. Mn(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Bi(1) atoms. Both Mn(1)-Bi(1) bond lengths are 2.28 Å. Bi(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Mn(1) atoms.