data_LaYTiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYTiSn
_chemical_formula_sum   'La1 Y1 Ti1 Sn1'
_cell_volume   100.16
_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  0.53  0.53  0.53  1.0
  Y  Y3  1  0.69  0.69  0.69  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.84  0.84  0.84  1.0

data_LaYTiSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYTiSn
_chemical_formula_sum   'La3 Y3 Ti3 Sn3'
_cell_volume   300.47
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.47  1.0
  Y  Y1  3  0.0  0.0  0.31  1.0
  Ti  Ti2  3  0.0  0.0  -0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.16  1.0

La Y Ti Sn
LaYTiSn crystallizes in the trigonal R3m space group. La(1) is bonded to one Y(1) and three equivalent Sn(1) atoms to form distorted LaYSn3 trigonal pyramids that share  a cornercorner with one Sn(1)La3YTi trigonal bipyramid and corners with six equivalent La(1)YSn3 trigonal pyramids. The La(1)-Y(1) bond length is 2.00 Å. All La(1)-Sn(1) bond lengths are 3.02 Å. Y(1) is bonded in a 5-coordinate geometry to one La(1), three equivalent Ti(1), and one Sn(1) atom. All Y(1)-Ti(1) bond lengths are 3.02 Å. The Y(1)-Sn(1) bond length is 2.00 Å. Ti(1) is bonded in a distorted single-bond geometry to three equivalent Y(1) and one Sn(1) atom. The Ti(1)-Sn(1) bond length is 2.00 Å. Sn(1) is bonded to three equivalent La(1), one Y(1), and one Ti(1) atom to form distorted SnLa3YTi trigonal bipyramids that share corners with six equivalent Sn(1)La3YTi trigonal bipyramids and  a cornercorner with one La(1)YSn3 trigonal pyramid.