data_FeNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Bi
_chemical_formula_sum   'Fe1 Ni2 Bi1'
_cell_volume   58.12
_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
  Fe  Fe1  1  0.0  0.0  0.22  1.0
  Ni  Ni2  1  0.07  0.0  0.04  1.0
  Ni  Ni3  1  0.0  0.0  0.96  1.0
  Bi  Bi0  1  0.07  0.0  0.1  1.0

data_FeNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi2Bi
_chemical_formula_sum   'Fe1 Ni2 Bi1'
_cell_volume   58.12
_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
  Fe  Fe0  1  0.0  0.0  0.22  1.0
  Ni  Ni1  1  0.0  0.0  0.96  1.0
  Ni  Ni2  1  0.07  0.0  0.04  1.0
  Bi  Bi3  1  0.07  0.0  0.1  1.0

Fe Ni Ni Bi
FeNi2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeNi2Bi cluster. Fe(1) is bonded in a single-bond geometry to one Bi(1) atom. The Fe(1)-Bi(1) bond length is 0.73 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one Bi(1) atom. The Ni(1)-Ni(2) bond length is 0.51 Å. The Ni(1)-Bi(1) bond length is 0.40 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Ni(1) atom. Bi(1) is bonded in a distorted linear geometry to one Fe(1) and one Ni(1) atom.