data_TiBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeRe2
_chemical_formula_sum   'Ti1 Be1 Re2'
_cell_volume   55.72
_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
  Ti  Ti3  1  0.87  0.87  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.87  0.99  1.0
  Re  Re2  1  0.87  0.0  0.99  1.0

data_TiBeRe2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.98
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TiBeRe2
_chemical_formula_sum   'Ti2 Be2 Re4'
_cell_volume   111.44
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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
  Ti  Ti0  2  0.0  0.0  0.87  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Re  Re2  4  0.0  0.06  0.94  1.0

Ti Be Re Re
Ti Be Re Re 0 2 + o - 0 3 o + - 1 3 - o - 1 2 o - - 
BeTiRe2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeTiRe2 clusters. Be(1) is bonded in an L-shaped geometry to two equivalent Re(1) atoms. Both Be(1)-Re(1) bond lengths are 0.49 Å. Ti(1) is bonded in an L-shaped geometry to two equivalent Re(1) atoms. Both Ti(1)-Re(1) bond lengths are 0.49 Å. Re(1) is bonded in an L-shaped geometry to one Be(1) and one Ti(1) atom.