data_CdFe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Si
_chemical_formula_sum   'Cd1 Fe2 Si1'
_cell_volume   57.81
_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
  Cd  Cd0  1  0.97  0.0  0.6  1.0
  Fe  Fe1  1  0.0  0.0  0.75  1.0
  Fe  Fe2  1  0.97  0.0  0.31  1.0
  Si  Si3  1  0.0  0.0  0.96  1.0

data_CdFe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFe2Si
_chemical_formula_sum   'Cd1 Fe2 Si1'
_cell_volume   57.81
_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
  Cd  Cd0  1  0.97  0.0  0.6  1.0
  Fe  Fe1  1  0.0  0.0  0.75  1.0
  Fe  Fe2  1  0.97  0.0  0.31  1.0
  Si  Si3  1  0.0  0.0  0.96  1.0

Cd Fe Fe Si
Fe2CdSi crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a linear geometry to one Cd(1) and one Si(1) atom. The Fe(1)-Cd(1) bond length is 1.11 Å. The Fe(1)-Si(1) bond length is 1.47 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to four equivalent Fe(2), one Cd(1), and one Si(1) atom. All Fe(2)-Fe(2) bond lengths are 2.87 Å. The Fe(2)-Cd(1) bond length is 1.99 Å. The Fe(2)-Si(1) bond length is 2.48 Å. Cd(1) is bonded in a distorted linear geometry to one Fe(1) and one Fe(2) atom. Si(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Fe(2) atom.