data_LaBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBeRe2
_chemical_formula_sum   'La1 Be1 Re2'
_cell_volume   70.09
_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
  La  La1  1  0.54  0.54  0.51  1.0
  Be  Be0  1  0.0  0.0  0.09  1.0
  Re  Re2  1  0.0  0.0  0.5  1.0
  Re  Re3  1  0.54  0.54  0.95  1.0

data_LaBeRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaBeRe2
_chemical_formula_sum   'La2 Be2 Re4'
_cell_volume   140.18
_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
  La  La0  2  0.04  0.5  0.51  1.0
  Be  Be1  2  0.0  0.0  0.09  1.0
  Re  Re2  2  0.0  0.0  0.5  1.0
  Re  Re3  2  0.04  0.5  0.95  1.0

La Be Re Re
BeLaRe2 crystallizes in the monoclinic Cm space group. Be(1) is bonded in a 5-coordinate geometry to one Re(1) and four equivalent Re(2) atoms. The Be(1)-Re(1) bond length is 3.00 Å. There are a spread of Be(1)-Re(2) bond distances ranging from 2.26-2.59 Å. La(1) is bonded in a 4-coordinate geometry to one Re(2) and four equivalent Re(1) atoms. The La(1)-Re(2) bond length is 3.24 Å. There are a spread of La(1)-Re(1) bond distances ranging from 2.00-2.36 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 4-coordinate geometry to one Be(1) and four equivalent La(1) atoms. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one La(1) atom.