data_SrBe4Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBe4Ni
_chemical_formula_sum   'Sr1 Be4 Ni1'
_cell_volume   75.94
_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  0.68  0.68  0.68  1.0
  Be  Be0  1  0.47  0.47  0.25  1.0
  Be  Be1  1  0.47  0.25  0.47  1.0
  Be  Be2  1  0.25  0.47  0.47  1.0
  Be  Be3  1  0.25  0.25  0.25  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0

data_SrBe4Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   11.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrBe4Ni
_chemical_formula_sum   'Sr3 Be12 Ni3'
_cell_volume   227.83
_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  0.32  1.0
  Be  Be1  9  0.15  0.08  0.6  1.0
  Be  Be2  3  0.0  0.0  0.75  1.0
  Ni  Ni3  3  0.0  0.0  0.0  1.0

Sr Be Be Be Be Ni
Sr Be Be Be Be Ni 0 1 o o + 0 2 o + o 0 3 + o o 0 5 + + o 0 5 + o + 0 5 o + + 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + o o 1 5 o + o 2 3 o o o 2 4 o o o 2 5 + o o 2 5 o o + 3 4 o o o 3 5 o + o 3 5 o o + 4 5 o + o 4 5 + o o 4 5 o o + 4 5 o o o 
SrBe4Ni crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 3-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and four equivalent Ni(1) atoms. All Sr(1)-Be(1) bond lengths are 2.20 Å. All Sr(1)-Be(2) bond lengths are 2.98 Å. There are three shorter (2.75 Å) and one longer (3.72 Å) Sr(1)-Ni(1) bond length. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to one Sr(1), one Be(2), two equivalent Be(1), and two equivalent Ni(1) atoms. The Be(1)-Be(2) bond length is 1.87 Å. Both Be(1)-Be(1) bond lengths are 1.08 Å. Both Be(1)-Ni(1) bond lengths are 2.61 Å. In the second Be site, Be(2) is bonded in a 10-coordinate geometry to three equivalent Sr(1), three equivalent Be(1), and four equivalent Ni(1) atoms. There is one shorter (2.88 Å) and three longer (2.92 Å) Be(2)-Ni(1) bond lengths. Ni(1) is bonded in a 14-coordinate geometry to four equivalent Sr(1), four equivalent Be(2), and six equivalent Be(1) atoms.