data_SrInCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrInCuSn
_chemical_formula_sum   'Sr1 In1 Cu1 Sn1'
_cell_volume   101.28
_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
  Sr  Sr3  1  0.55  0.55  0.55  1.0
  In  In1  1  0.7  0.7  0.7  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.85  0.85  0.85  1.0

data_SrInCuSn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   12.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrInCuSn
_chemical_formula_sum   'Sr3 In3 Cu3 Sn3'
_cell_volume   303.84
_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
  Sr  Sr0  3  0.0  0.0  0.45  1.0
  In  In1  3  0.0  0.0  0.3  1.0
  Cu  Cu2  3  0.0  0.0  0.0  1.0
  Sn  Sn3  3  0.0  0.0  0.15  1.0

Sr In Cu Sn
Sr In Cu Sn 0 1 o o o 1 3 o o o 2 3 - - - 
SrCuInSn crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted single-bond geometry to one In(1) and three equivalent Sn(1) atoms. The Sr(1)-In(1) bond length is 1.92 Å. All Sr(1)-Sn(1) bond lengths are 3.05 Å. Cu(1) is bonded in a distorted single-bond geometry to one Sn(1) atom. The Cu(1)-Sn(1) bond length is 1.92 Å. In(1) is bonded in a distorted linear geometry to one Sr(1) and one Sn(1) atom. The In(1)-Sn(1) bond length is 1.92 Å. Sn(1) is bonded to three equivalent Sr(1), one Cu(1), and one In(1) atom to form distorted corner-sharing SnSr3InCu trigonal bipyramids.