data_Cu2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.76
_cell_angle_alpha   101.71
_cell_angle_beta   101.71
_cell_angle_gamma   46.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiBi
_chemical_formula_sum   'Cu2 Si1 Bi1'
_cell_volume   71.16
_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
  Cu  Cu1  1  0.99  0.0  0.69  1.0
  Cu  Cu2  1  0.44  0.0  0.93  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.21  0.0  0.81  1.0

data_Cu2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.18
_cell_length_c   5.76
_cell_angle_alpha   101.71
_cell_angle_beta   90.0
_cell_angle_gamma   113.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SiBi
_chemical_formula_sum   'Cu2 Si1 Bi1'
_cell_volume   71.16
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.01  0.31  1.0
  Cu  Cu2  1  0.0  0.56  0.07  1.0
  Bi  Bi3  1  0.0  0.79  0.19  1.0

Cu Cu Si Bi
Cu Cu Si Bi 0 3 + o o 0 2 + o + 1 3 o o o 2 3 o o - 
Cu2SiBi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Cu2SiBi cluster. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Bi(1) atom. The Cu(1)-Bi(1) bond length is 1.05 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Bi(1) atom. The Cu(2)-Bi(1) bond length is 1.05 Å. Si(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Si(1)-Bi(1) bond length is 1.55 Å. Bi(1) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Si(1) atom.