data_BeReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   3.73
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReNi
_chemical_formula_sum   'Be1 Re1 Ni1'
_cell_volume   36.58
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.32  0.32  0.32  1.0
  Ni  Ni1  1  0.95  0.95  0.95  1.0

data_BeReNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeReNi
_chemical_formula_sum   'Be3 Re3 Ni3'
_cell_volume   109.73
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  Re  Re1  3  0.0  0.0  0.68  1.0
  Ni  Ni2  3  0.0  0.0  0.05  1.0

Be Re Ni
Be Re Ni 0 2 - - - 0 1 o o - 0 1 o - o 0 1 - o o 1 2 - - o 1 2 - o - 1 2 o - - 
BeReNi crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to four equivalent Re(1) and one Ni(1) atom. There are three shorter (2.16 Å) and one longer (2.90 Å) Be(1)-Re(1) bond length. The Be(1)-Ni(1) bond length is 0.44 Å. Re(1) is bonded to four equivalent Be(1) and three equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing ReBe4Ni3 hexagonal pyramids. All Re(1)-Ni(1) bond lengths are 2.17 Å. Ni(1) is bonded in a single-bond geometry to one Be(1) and three equivalent Re(1) atoms.