data_BeAlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   131.8
_cell_angle_beta   131.8
_cell_angle_gamma   70.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAlFe2
_chemical_formula_sum   'Be1 Al1 Fe2'
_cell_volume   44.76
_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  Be1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.55  1.0
  Fe  Fe2  1  0.78  0.0  0.77  1.0
  Fe  Fe3  1  0.0  0.78  0.77  1.0

data_BeAlFe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   125.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeAlFe2
_chemical_formula_sum   'Be2 Al2 Fe4'
_cell_volume   89.52
_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  0.0  1.0
  Al  Al1  2  0.45  0.0  0.45  1.0
  Fe  Fe2  4  0.11  0.11  0.0  1.0

Be Al Fe Fe
Be Al Fe Fe 0 2 - o - 0 3 o - - 0 1 o o - 1 2 - o o 1 3 o - o 
BeFe2Al crystallizes in the monoclinic Cm space group. Be(1) is bonded in an L-shaped geometry to two equivalent Fe(1) and one Al(1) atom. Both Be(1)-Fe(1) bond lengths are 0.80 Å. The Be(1)-Al(1) bond length is 2.39 Å. Fe(1) is bonded in a single-bond geometry to one Be(1) and two equivalent Al(1) atoms. There is one shorter (1.78 Å) and one longer (2.82 Å) Fe(1)-Al(1) bond length. Al(1) is bonded in a 5-coordinate geometry to one Be(1) and four equivalent Fe(1) atoms.