data_ReSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSi2Bi
_chemical_formula_sum   'Re1 Si2 Bi1'
_cell_volume   72.27
_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
  Re  Re1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.57  0.57  0.32  1.0
  Si  Si3  1  0.57  0.57  0.99  1.0
  Bi  Bi0  1  0.0  0.0  0.65  1.0

data_ReSi2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSi2Bi
_chemical_formula_sum   'Re2 Si4 Bi2'
_cell_volume   144.54
_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
  Re  Re0  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.07  0.5  0.32  1.0
  Si  Si2  2  0.07  0.5  0.99  1.0
  Bi  Bi3  2  0.0  0.0  0.65  1.0

Re Si Si Bi
Re Si Si Bi 0 2 - - - 0 2 - o - 0 2 o - - 0 1 o o o 0 1 o - o 0 1 - o o 0 1 - - o 0 3 o o - 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 1 2 o o - 2 3 + + o 2 3 + o o 2 3 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
ReSi2Bi crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 5-coordinate geometry to four equivalent Si(2) and one Bi(1) atom. There are a spread of Re(1)-Si(2) bond distances ranging from 1.90-2.55 Å. The Re(1)-Bi(1) bond length is 2.54 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted bent 150 degrees geometry to one Si(2) and one Bi(1) atom. The Si(1)-Si(2) bond length is 2.44 Å. The Si(1)-Bi(1) bond length is 3.09 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent Re(1) and one Si(1) atom. Bi(1) is bonded in a 1-coordinate geometry to one Re(1) and one Si(1) atom.