data_SrSi4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSi4Ni
_chemical_formula_sum   'Sr1 Si4 Ni1'
_cell_volume   103.7
_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  Sr5  1  0.59  0.59  0.59  1.0
  Si  Si1  1  0.68  0.68  0.78  1.0
  Si  Si2  1  0.68  0.78  0.68  1.0
  Si  Si3  1  0.78  0.68  0.68  1.0
  Si  Si4  1  0.78  0.78  0.78  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_SrSi4Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   12.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrSi4Ni
_chemical_formula_sum   'Sr3 Si12 Ni3'
_cell_volume   311.1
_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  0.41  1.0
  Si  Si1  9  0.03  0.06  0.29  1.0
  Si  Si2  3  0.0  0.0  0.22  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Sr Si Si Si Si Ni
SrNiSi4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1), three equivalent Si(1), and three equivalent Si(2) atoms. All Sr(1)-Ni(1) bond lengths are 3.19 Å. All Sr(1)-Si(1) bond lengths are 1.57 Å. All Sr(1)-Si(2) bond lengths are 3.61 Å. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Sr(1), one Si(2), and six equivalent Si(1) atoms. The Ni(1)-Si(2) bond length is 2.89 Å. All Ni(1)-Si(1) bond lengths are 2.97 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 2-coordinate geometry to one Sr(1), two equivalent Ni(1), one Si(2), and two equivalent Si(1) atoms. The Si(1)-Si(2) bond length is 0.87 Å. Both Si(1)-Si(1) bond lengths are 0.50 Å. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to three equivalent Sr(1), one Ni(1), and three equivalent Si(1) atoms.