data_SrInCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrInCo
_chemical_formula_sum   'Sr1 In1 Co1'
_cell_volume   81.93
_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  Sr2  1  0.45  0.45  0.45  1.0
  In  In1  1  0.17  0.17  0.17  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_SrInCo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   11.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrInCo
_chemical_formula_sum   'Sr3 In3 Co3'
_cell_volume   245.79
_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  0.55  1.0
  In  In1  3  0.0  0.0  0.83  1.0
  Co  Co2  3  0.0  0.0  -0.0  1.0

Sr In Co
Sr In Co 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o o + 0 2 o + o 0 2 + o o 1 2 o o o 
SrCoIn is half-Heusler structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 10-coordinate geometry to six equivalent Co(1) and four equivalent In(1) atoms. There are three shorter (3.13 Å) and three longer (3.85 Å) Sr(1)-Co(1) bond lengths. There are three shorter (2.90 Å) and one longer (3.30 Å) Sr(1)-In(1) bond length. Co(1) is bonded in a 1-coordinate geometry to six equivalent Sr(1) and one In(1) atom. The Co(1)-In(1) bond length is 2.04 Å. In(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and one Co(1) atom.