data_LaZrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrSi
_chemical_formula_sum   'La1 Zr1 Si1'
_cell_volume   83.11
_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  0.98  0.14  0.3  1.0
  Zr  Zr2  1  0.0  0.28  0.58  1.0
  Si  Si1  1  0.0  0.0  0.26  1.0

data_LaZrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrSi
_chemical_formula_sum   'La1 Zr1 Si1'
_cell_volume   83.11
_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  0.98  0.14  0.3  1.0
  Zr  Zr1  1  0.0  0.28  0.58  1.0
  Si  Si2  1  0.0  0.0  0.26  1.0

La Zr Si
La Zr Si 0 2 + o o 0 1 + o o 
LaZrSi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaZrSi cluster. La(1) is bonded in a distorted single-bond geometry to one Zr(1) and one Si(1) atom. The La(1)-Zr(1) bond length is 1.78 Å. The La(1)-Si(1) bond length is 0.65 Å. Zr(1) is bonded in a single-bond geometry to one La(1) atom. Si(1) is bonded in a single-bond geometry to one La(1) atom.