data_SmIn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmIn2Si
_chemical_formula_sum   'Sm1 In2 Si1'
_cell_volume   98.52
_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
  Sm  Sm3  1  0.67  0.67  0.67  1.0
  In  In0  1  0.83  0.83  0.83  1.0
  In  In1  1  0.5  0.5  0.5  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_SmIn2Si
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SmIn2Si
_chemical_formula_sum   'Sm3 In6 Si3'
_cell_volume   295.56
_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
  Sm  Sm0  3  0.0  0.0  0.33  1.0
  In  In1  3  0.0  0.0  0.17  1.0
  In  In2  3  0.0  0.0  0.5  1.0
  Si  Si3  3  0.0  0.0  0.0  1.0

Sm In In Si
SmIn2Si crystallizes in the trigonal R3m space group. Sm(1) is bonded to one In(1), one In(2), and three equivalent Si(1) atoms to form distorted SmIn2Si3 trigonal bipyramids that share corners with six equivalent Sm(1)In2Si3 trigonal bipyramids and  a cornercorner with one Si(1)Sm3In trigonal pyramid. The Sm(1)-In(1) bond length is 2.12 Å. The Sm(1)-In(2) bond length is 2.12 Å. All Sm(1)-Si(1) bond lengths are 2.99 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted linear geometry to one Sm(1) and one Si(1) atom. The In(1)-Si(1) bond length is 2.12 Å. In the second In site, In(2) is bonded in a single-bond geometry to one Sm(1) atom. Si(1) is bonded to three equivalent Sm(1) and one In(1) atom to form SiSm3In trigonal pyramids that share  a cornercorner with one Sm(1)In2Si3 trigonal bipyramid and corners with six equivalent Si(1)Sm3In trigonal pyramids.