data_ZrCoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   61.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoSi
_chemical_formula_sum   'Zr4 Co4 Si4'
_cell_volume   172.8
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.39  0.0  0.71  1.0
  Zr  Zr1  1  0.32  0.0  0.89  1.0
  Zr  Zr2  1  0.6  0.0  0.89  1.0
  Zr  Zr3  1  0.53  0.0  0.71  1.0
  Co  Co4  1  0.09  0.0  0.08  1.0
  Co  Co5  1  0.83  0.0  0.08  1.0
  Co  Co6  1  0.96  0.28  0.5  1.0
  Co  Co7  1  0.96  0.72  0.5  1.0
  Si  Si8  1  0.96  0.0  0.3  1.0
  Si  Si9  1  0.0  0.75  0.02  1.0
  Si  Si10  1  0.0  0.25  0.02  1.0
  Si  Si11  1  0.0  0.0  0.15  1.0

data_ZrCoSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoSi
_chemical_formula_sum   'Zr4 Co4 Si4'
_cell_volume   172.8
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.0  0.11  0.4  1.0
  Zr  Zr1  1  0.0  0.11  0.68  1.0
  Zr  Zr2  1  0.0  0.29  0.47  1.0
  Zr  Zr3  1  0.0  0.29  0.61  1.0
  Co  Co4  1  0.0  0.92  0.17  1.0
  Co  Co5  1  0.0  0.92  0.91  1.0
  Co  Co6  1  0.28  0.5  0.04  1.0
  Co  Co7  1  0.72  0.5  0.04  1.0
  Si  Si8  1  0.0  0.7  0.04  1.0
  Si  Si9  1  0.0  0.85  0.0  1.0
  Si  Si10  1  0.25  0.98  0.0  1.0
  Si  Si11  1  0.75  0.98  -0.0  1.0

Zr Zr Zr Zr Co Co Co Co Si Si Si Si
ZrCoSi crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a bent 120 degrees geometry to one Zr(2) and one Zr(4) atom. The Zr(1)-Zr(2) bond length is 1.05 Å. The Zr(1)-Zr(4) bond length is 1.11 Å. In the second Zr site, Zr(2) is bonded in a bent 150 degrees geometry to one Zr(1), one Co(1), and one Si(2) atom. The Zr(2)-Co(1) bond length is 2.08 Å. The Zr(2)-Si(2) bond length is 2.77 Å. In the third Zr site, Zr(3) is bonded in a bent 150 degrees geometry to one Zr(4) and one Co(2) atom. The Zr(3)-Zr(4) bond length is 1.05 Å. The Zr(3)-Co(2) bond length is 2.08 Å. In the fourth Zr site, Zr(4) is bonded in a bent 120 degrees geometry to one Zr(1) and one Zr(3) atom. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Zr(2), one Si(2), and one Si(4) atom. The Co(1)-Si(2) bond length is 1.57 Å. The Co(1)-Si(4) bond length is 0.77 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Zr(3), one Si(2), and one Si(4) atom. The Co(2)-Si(2) bond length is 1.94 Å. The Co(2)-Si(4) bond length is 1.37 Å. In the third Co site, Co(3) is bonded in a 1-coordinate geometry to one Si(1) and two equivalent Si(2) atoms. The Co(3)-Si(1) bond length is 2.06 Å. There is one shorter (2.42 Å) and one longer (2.71 Å) Co(3)-Si(2) bond length. In the fourth Co site, Co(4) is bonded in a distorted single-bond geometry to one Si(1) and two equivalent Si(2) atoms. The Co(4)-Si(1) bond length is 1.28 Å. There is one shorter (2.30 Å) and one longer (2.73 Å) Co(4)-Si(2) bond length. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Co(3), one Co(4), and one Si(4) atom. The Si(1)-Si(4) bond length is 0.83 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Zr(2), one Co(1), one Co(2), two equivalent Co(3), two equivalent Co(4), one Si(3), and one Si(4) atom. The Si(2)-Si(3) bond length is 2.53 Å. The Si(2)-Si(4) bond length is 1.63 Å. In the third Si site, Si(3) is bonded in a distorted single-bond geometry to one Si(2) and one Si(4) atom. The Si(3)-Si(4) bond length is 1.08 Å. In the fourth Si site, Si(4) is bonded in a 2-coordinate geometry to one Co(1), one Co(2), one Si(1), one Si(2), and one Si(3) atom.