data_BeCr4Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr4Re
_chemical_formula_sum   'Be1 Cr4 Re1'
_cell_volume   72.61
_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
  Cr  Cr1  1  0.48  0.14  0.14  1.0
  Cr  Cr2  1  0.14  0.14  0.48  1.0
  Cr  Cr3  1  0.14  0.48  0.14  1.0
  Cr  Cr4  1  0.48  0.48  0.48  1.0
  Re  Re5  1  0.97  0.97  0.97  1.0

data_BeCr4Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeCr4Re
_chemical_formula_sum   'Be3 Cr12 Re3'
_cell_volume   217.83
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  Cr  Cr1  9  0.11  0.56  0.41  1.0
  Cr  Cr2  3  0.0  0.0  0.52  1.0
  Re  Re3  3  0.0  0.0  0.03  1.0

Be Cr Cr Cr Cr Re
BeCr4Re crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one Re(1) atom. The Be(1)-Re(1) bond length is 0.38 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1), three equivalent Cr(2), and one Re(1) atom. Both Cr(1)-Cr(1) bond lengths are 1.56 Å. There are two shorter (2.70 Å) and one longer (2.71 Å) Cr(1)-Cr(2) bond length. The Cr(1)-Re(1) bond length is 1.87 Å. In the second Cr site, Cr(2) is bonded in a 9-coordinate geometry to nine equivalent Cr(1) atoms. Re(1) is bonded in a single-bond geometry to one Be(1) and three equivalent Cr(1) atoms.