data_CoSi2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi2Sn
_chemical_formula_sum   'Co1 Si2 Sn1'
_cell_volume   64.45
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.5  0.5  0.24  1.0
  Si  Si2  1  0.5  0.5  0.91  1.0
  Sn  Sn3  1  0.0  0.0  0.57  1.0

data_CoSi2Sn
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   CoSi2Sn
_chemical_formula_sum   'Co1 Si2 Sn1'
_cell_volume   64.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.5  0.5  0.24  1.0
  Si  Si2  1  0.5  0.5  0.91  1.0
  Sn  Sn3  1  0.0  0.0  0.57  1.0

Co Si Si Sn
Co Si Si Sn 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o 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 
CoSnSi2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 4-coordinate geometry to one Sn(1), four equivalent Si(1), and four equivalent Si(2) atoms. The Co(1)-Sn(1) bond length is 3.05 Å. There are three shorter (2.71 Å) and one longer (2.72 Å) Co(1)-Si(1) bond length. There is one shorter (2.21 Å) and three longer (2.22 Å) Co(1)-Si(2) bond lengths. Sn(1) is bonded in a 13-coordinate geometry to one Co(1), four equivalent Sn(1), four equivalent Si(1), and four equivalent Si(2) atoms. All Sn(1)-Sn(1) bond lengths are 3.00 Å. There are three shorter (3.21 Å) and one longer (3.22 Å) Sn(1)-Si(1) bond length. There are three shorter (3.21 Å) and one longer (3.22 Å) Sn(1)-Si(2) bond length. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 5-coordinate geometry to four equivalent Co(1), four equivalent Sn(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.33 Å. In the second Si site, Si(2) is bonded in a 5-coordinate geometry to four equivalent Co(1), four equivalent Sn(1), and one Si(1) atom.