data_SrUNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrUNi2
_chemical_formula_sum   'Sr1 U1 Ni2'
_cell_volume   78.29
_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  0.0  0.0  0.0  1.0
  U  U3  1  0.4  0.4  0.4  1.0
  Ni  Ni0  1  0.09  0.09  0.09  1.0
  Ni  Ni1  1  0.7  0.7  0.7  1.0

data_SrUNi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   11.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrUNi2
_chemical_formula_sum   'Sr3 U3 Ni6'
_cell_volume   234.87
_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
  U  U1  3  0.0  0.0  0.6  1.0
  Ni  Ni2  3  0.0  0.0  0.3  1.0
  Ni  Ni3  3  0.0  0.0  0.91  1.0

Sr U Ni Ni
SrUNi2 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a single-bond geometry to three equivalent U(1), one Ni(1), and four equivalent Ni(2) atoms. All Sr(1)-U(1) bond lengths are 2.87 Å. The Sr(1)-Ni(1) bond length is 1.10 Å. There are three shorter (2.80 Å) and one longer (3.56 Å) Sr(1)-Ni(2) bond length. U(1) is bonded in a 11-coordinate geometry to three equivalent Sr(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. There are three shorter (2.80 Å) and one longer (3.56 Å) U(1)-Ni(1) bond length. There are three shorter (2.80 Å) and one longer (3.56 Å) U(1)-Ni(2) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Sr(1) and four equivalent U(1) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent U(1) atoms.