data_FeRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRe2Bi
_chemical_formula_sum   'Fe1 Re2 Bi1'
_cell_volume   68.3
_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  0.74  1.0
  Re  Re2  1  0.54  0.54  0.16  1.0
  Re  Re3  1  0.0  0.0  0.41  1.0
  Bi  Bi0  1  0.54  0.54  0.74  1.0

data_FeRe2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRe2Bi
_chemical_formula_sum   'Fe2 Re4 Bi2'
_cell_volume   136.61
_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+1/2, y+1/2, z'
  4  '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
  Fe  Fe0  2  0.0  0.0  0.74  1.0
  Re  Re1  2  0.0  0.0  0.41  1.0
  Re  Re2  2  0.04  0.5  0.16  1.0
  Bi  Bi3  2  0.04  0.5  0.74  1.0

Fe Re Re Bi
Re2FeBi crystallizes in the monoclinic Cm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to four equivalent Re(1), four equivalent Re(2), and one Bi(1) atom. All Re(1)-Re(1) bond lengths are 3.08 Å. There are a spread of Re(1)-Re(2) bond distances ranging from 2.68-2.93 Å. The Re(1)-Bi(1) bond length is 3.04 Å. In the second Re site, Re(2) is bonded in a distorted single-bond geometry to four equivalent Re(1) and one Fe(1) atom. The Re(2)-Fe(1) bond length is 2.39 Å. Fe(1) is bonded to one Re(2) and four equivalent Bi(1) atoms to form a mixture of corner and edge-sharing FeReBi4 square pyramids. There are a spread of Fe(1)-Bi(1) bond distances ranging from 2.01-2.34 Å. Bi(1) is bonded in a 4-coordinate geometry to one Re(1) and four equivalent Fe(1) atoms.