data_Be2ZnRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnRe
_chemical_formula_sum   'Be2 Zn1 Re1'
_cell_volume   45.77
_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  0.39  0.39  0.23  1.0
  Be  Be1  1  0.0  0.0  0.31  1.0
  Zn  Zn3  1  0.0  0.0  0.65  1.0
  Re  Re2  1  0.39  0.39  0.72  1.0

data_Be2ZnRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2ZnRe
_chemical_formula_sum   'Be4 Zn2 Re2'
_cell_volume   91.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.31  1.0
  Be  Be1  2  0.39  0.0  0.23  1.0
  Zn  Zn2  2  0.0  0.0  0.65  1.0
  Re  Re3  2  0.39  0.0  0.72  1.0

Be Be Zn Re
Be Be Zn Re 0 1 o o o 2 3 o o o 
Be2ReZn crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 6-coordinate geometry to four equivalent Be(2) and two equivalent Re(1) atoms. There are a spread of Be(1)-Be(2) bond distances ranging from 1.58-2.44 Å. There is one shorter (2.88 Å) and one longer (3.06 Å) Be(1)-Re(1) bond length. In the second Be site, Be(2) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Zn(1) atom. The Be(2)-Zn(1) bond length is 2.06 Å. Re(1) is bonded in a 3-coordinate geometry to two equivalent Be(1) and four equivalent Zn(1) atoms. There are a spread of Re(1)-Zn(1) bond distances ranging from 1.57-2.43 Å. Zn(1) is bonded in a 5-coordinate geometry to one Be(2) and four equivalent Re(1) atoms.