data_SrTcNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTcNi4
_chemical_formula_sum   'Sr1 Tc1 Ni4'
_cell_volume   86.45
_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  Sr4  1  0.0  0.0  0.0  1.0
  Tc  Tc5  1  0.75  0.75  0.75  1.0
  Ni  Ni0  1  0.65  0.65  0.37  1.0
  Ni  Ni1  1  0.65  0.37  0.65  1.0
  Ni  Ni2  1  0.37  0.65  0.65  1.0
  Ni  Ni3  1  0.37  0.37  0.37  1.0

data_SrTcNi4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   12.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrTcNi4
_chemical_formula_sum   'Sr3 Tc3 Ni12'
_cell_volume   259.36
_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  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.25  1.0
  Ni  Ni2  9  0.18  0.09  0.44  1.0
  Ni  Ni3  3  0.0  0.0  0.63  1.0

Sr Tc Ni Ni Ni Ni
SrTcNi4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 3-coordinate geometry to four equivalent Tc(1), three equivalent Ni(1), and three equivalent Ni(2) atoms. There is one shorter (2.98 Å) and three longer (3.06 Å) Sr(1)-Tc(1) bond lengths. All Sr(1)-Ni(1) bond lengths are 2.48 Å. All Sr(1)-Ni(2) bond lengths are 2.90 Å. Tc(1) is bonded in a 13-coordinate geometry to four equivalent Sr(1), three equivalent Ni(2), and six equivalent Ni(1) atoms. All Tc(1)-Ni(2) bond lengths are 2.93 Å. There are three shorter (2.55 Å) and three longer (2.64 Å) Tc(1)-Ni(1) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(2) is bonded in a 3-coordinate geometry to three equivalent Sr(1) and three equivalent Tc(1) atoms. In the second Ni site, Ni(1) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Tc(1), and two equivalent Ni(1) atoms. Both Ni(1)-Ni(1) bond lengths are 1.36 Å.