data_LaY2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   133.57
_cell_angle_beta   133.57
_cell_angle_gamma   67.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Si
_chemical_formula_sum   'La1 Y2 Si1'
_cell_volume   107.26
_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  0.92  1.0
  Y  Y2  1  0.33  0.0  0.46  1.0
  Y  Y3  1  0.0  0.33  0.46  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_LaY2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   123.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaY2Si
_chemical_formula_sum   'La2 Y4 Si2'
_cell_volume   214.52
_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  0.92  1.0
  Y  Y1  4  0.33  0.33  0.12  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0

La Y Y Si
La Y Y Si 0 3 o o + 0 1 o o + 0 2 o o + 1 3 o o o 1 2 o o o 2 3 o o o 
LaY2Si crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaY2Si clusters. La(1) is bonded in a single-bond geometry to one Si(1) atom. The La(1)-Si(1) bond length is 0.49 Å. Y(1) is bonded in a single-bond geometry to one Si(1) atom. The Y(1)-Si(1) bond length is 1.97 Å. Si(1) is bonded in a single-bond geometry to one La(1) and two equivalent Y(1) atoms.