data_LaYSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.42
_cell_angle_alpha   139.0
_cell_angle_beta   137.18
_cell_angle_gamma   60.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYSn2
_chemical_formula_sum   'La1 Y1 Sn2'
_cell_volume   116.75
_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  0.25  0.0  0.8  1.0
  Y  Y3  1  0.0  0.0  0.07  1.0
  Sn  Sn1  1  0.0  0.0  0.6  1.0
  Sn  Sn2  1  0.0  0.34  0.69  1.0

data_LaYSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.69
_cell_length_c   6.42
_cell_angle_alpha   111.41
_cell_angle_beta   110.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYSn2
_chemical_formula_sum   'La1 Y1 Sn2'
_cell_volume   116.75
_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  0.45  0.2  0.45  1.0
  Y  Y1  1  0.93  0.93  0.93  1.0
  Sn  Sn2  1  0.31  0.66  0.66  1.0
  Sn  Sn3  1  0.4  0.4  0.4  1.0

La Y Sn Sn
La Y Sn Sn 0 2 o o o 0 1 o o + 1 3 o o o 1 3 o - - 1 2 o o - 1 2 o o o 2 3 o o o 
LaYSn2 crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one Sn(1) and two equivalent Sn(2) atoms. The La(1)-Sn(1) bond length is 1.09 Å. There is one shorter (2.28 Å) and one longer (3.42 Å) La(1)-Sn(2) bond length. Y(1) is bonded in a 3-coordinate geometry to one Sn(1) and two equivalent Sn(2) atoms. The Y(1)-Sn(1) bond length is 3.04 Å. There is one shorter (2.69 Å) and one longer (2.85 Å) Y(1)-Sn(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one La(1), one Y(1), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 1.82 Å. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Y(1), and one Sn(1) atom.