data_NaReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   6.96
_cell_angle_alpha   100.39
_cell_angle_beta   100.39
_cell_angle_gamma   42.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReBi2
_chemical_formula_sum   'Na1 Re1 Bi2'
_cell_volume   101.9
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.7  0.0  0.41  1.0
  Bi  Bi0  1  0.34  0.0  0.01  1.0
  Bi  Bi1  1  0.07  0.0  0.82  1.0

data_NaReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.7
_cell_length_c   6.96
_cell_angle_alpha   100.39
_cell_angle_beta   90.0
_cell_angle_gamma   111.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReBi2
_chemical_formula_sum   'Na1 Re1 Bi2'
_cell_volume   101.9
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.3  0.59  1.0
  Bi  Bi2  1  0.0  0.66  0.99  1.0
  Bi  Bi3  1  0.0  0.93  0.18  1.0

Na Re Bi Bi
Na Re Bi Bi 0 2 o o o 0 3 o o - 0 1 - o o 1 2 o o o 1 1 + - o 1 3 + o o 2 3 o o - 
NaReBi2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 2-coordinate geometry to one Re(1), one Bi(1), and one Bi(2) atom. The Na(1)-Re(1) bond length is 3.40 Å. The Na(1)-Bi(1) bond length is 1.59 Å. The Na(1)-Bi(2) bond length is 1.38 Å. Re(1) is bonded in a 5-coordinate geometry to one Na(1), two equivalent Re(1), one Bi(1), and one Bi(2) atom. Both Re(1)-Re(1) bond lengths are 3.41 Å. The Re(1)-Bi(1) bond length is 3.01 Å. The Re(1)-Bi(2) bond length is 3.01 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a distorted single-bond geometry to one Na(1) and one Re(1) atom. In the second Bi site, Bi(2) is bonded in a single-bond geometry to one Na(1) and one Re(1) atom.