data_LaZr2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.86
_cell_length_b   8.86
_cell_length_c   8.86
_cell_angle_alpha   23.79
_cell_angle_beta   23.79
_cell_angle_gamma   23.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Si
_chemical_formula_sum   'La1 Zr2 Si1'
_cell_volume   99.41
_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
  La  La0  1  0.0  0.0  0.91  1.0
  Zr  Zr2  1  0.0  0.0  0.8  1.0
  Zr  Zr3  1  0.0  0.0  0.02  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_LaZr2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   3.65
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaZr2Si
_chemical_formula_sum   'La2 Zr4 Si2'
_cell_volume   198.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.09  1.0
  Zr  Zr1  2  0.0  0.0  0.2  1.0
  Zr  Zr2  2  0.0  0.0  0.98  1.0
  Si  Si3  2  0.0  0.0  0.0  1.0

La Zr Zr Si
LaZr2Si is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaZr2Si clusters. La(1) is bonded in a linear geometry to one Zr(1) and one Si(1) atom. The La(1)-Zr(1) bond length is 0.96 Å. The La(1)-Si(1) bond length is 0.81 Å. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a single-bond geometry to one La(1) atom. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Si(1) atom. The Zr(2)-Si(1) bond length is 0.15 Å. Si(1) is bonded in a linear geometry to one La(1) and one Zr(2) atom.